N-[[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine

C₉₀H₁₂₀Cl₅FN₁₈O₂ — CID 158030578

About N-[[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine

N-[[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine (PubChem CID 158030578) has the molecular formula C₉₀H₁₂₀Cl₅FN₁₈O₂ and a molecular weight of 1682.34 g/mol. Its IUPAC name is N-[[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine.

Molecular Properties

• Compound Name: N-[[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine
• PubChem CID: 158030578
• Molecular Formula: C₉₀H₁₂₀Cl₅FN₁₈O₂
• Molecular Weight: 1682.34 g/mol
• Exact Mass: 1678.83
• IUPAC Name: N-[[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine
• SMILES: CCCN(C)Cc1cn[nH]c1-c1cc(C)ccc1Cl.CCCN(C)Cc1cn[nH]c1-c1ccc(C)cc1C.CCCN(C)Cc1cn[nH]c1-c1ccc(C)cc1Cl.CCCN(C)Cc1cn[nH]c1-c1ccc(Cl)cc1Cl.CCCN(C)Cc1cn[nH]c1-c1ccc(F)cc1Cl.CCCN(C)Cc1cn[nH]c1-c1ccc(OC)cc1OC
• InChI: InChI=1S/C16H23N3O2.C16H23N3.2C15H20ClN3.C14H17Cl2N3.C14H17ClFN3/c1-5-8-19(2)11-12-10-17-18-16(12)14-7-6-13(20-3)9-15(14)21-4;1-5-8-19(4)11-14-10-17-18-16(14)15-7-6-12(2)9-13(15)3;1-4-7-19(3)10-12-9-17-18-15(12)13-8-11(2)5-6-14(13)16;1-4-7-19(3)10-12-9-17-18-15(12)13-6-5-11(2)8-14(13)16;1-3-6-19(2)9-10-8-17-18-14(10)12-5-4-11(15)7-13(12)16;1-3-6-19(2)9-10-8-17-18-14(10)12-5-4-11(16)7-13(12)15/h6-7,9-10H,5,8,11H2,1-4H3,(H,17,18);6-7,9-10H,5,8,11H2,1-4H3,(H,17,18);2*5-6,8-9H,4,7,10H2,1-3H3,(H,17,18);2*4-5,7-8H,3,6,9H2,1-2H3,(H,17,18)
• InChIKey: FHDBONMRJBUMFD-UHFFFAOYSA-N
• XLogP: 22.17
• TPSA: 209.98 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 32
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1682.34
LogP ≤ 5	22.17
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine?

The IUPAC name of N-[[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine (CID 158030578) is N-[[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine.

What is the SMILES notation for N-[[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine?

The canonical SMILES for N-[[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine is CCCN(C)Cc1cn[nH]c1-c1cc(C)ccc1Cl.CCCN(C)Cc1cn[nH]c1-c1ccc(C)cc1C.CCCN(C)Cc1cn[nH]c1-c1ccc(C)cc1Cl.CCCN(C)Cc1cn[nH]c1-c1ccc(Cl)cc1Cl.CCCN(C)Cc1cn[nH]c1-c1ccc(F)cc1Cl.CCCN(C)Cc1cn[nH]c1-c1ccc(OC)cc1OC.

What is the InChIKey of N-[[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine?

The InChIKey is FHDBONMRJBUMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.C16H23N3.2C15H20ClN3.C14H17Cl2N3.C14H17ClFN3/c1-5-8-19(2)11-12-10-17-18-16(12)14-7-6-13(20-3)9-15(14)21-4;1-5-8-19(4)11-14-10-17-18-16(14)15-7-6-12(2)9-13(15)3;1-4-7-19(3)10-12-9-17-18-15(12)13-8-11(2)5-6-14(13)16;1-4-7-19(3)10-12-9-17-18-15(12)13-6-5-11(2)8-14(13)16;1-3-6-19(2)9-10-8-17-18-14(10)12-5-4-11(15)7-13(12)16;1-3-6-19(2)9-10-8-17-18-14(10)12-5-4-11(16)7-13(12)15/h6-7,9-10H,5,8,11H2,1-4H3,(H,17,18);6-7,9-10H,5,8,11H2,1-4H3,(H,17,18);2*5-6,8-9H,4,7,10H2,1-3H3,(H,17,18);2*4-5,7-8H,3,6,9H2,1-2H3,(H,17,18).

What are the key properties of N-[[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine?

N-[[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine has a molecular weight of 1682.34 g/mol, XLogP of 22.17, 32 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine is sourced from PubChem (CID 158030578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158030578 — identifiers, structure, computed properties (public domain)

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