3-[5-chloro-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine

C14H18ClN3 — CID 115068649

IUPAC3-[5-chloro-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine
SMILESCc1ccc(Cn2ncc(CCCN)c2Cl)cc1
InChIInChI=1S/C14H18ClN3/c1-11-4-6-12(7-5-11)10-18-14(15)13(9-17-18)3-2-8-16/h4-7,9H,2-3,8,10,16H2,1H3
InChIKeyAJSANMPYVRYUHY-UHFFFAOYSA-N
MW263.77 g/mol
LogP2.78
Rot. Bonds5

About 3-[5-chloro-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine

3-[5-chloro-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine (PubChem CID 115068649) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 3-[5-chloro-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-chloro-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine
PubChem CID115068649
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name3-[5-chloro-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine
SMILESCc1ccc(Cn2ncc(CCCN)c2Cl)cc1
InChIInChI=1S/C14H18ClN3/c1-11-4-6-12(7-5-11)10-18-14(15)13(9-17-18)3-2-8-16/h4-7,9H,2-3,8,10,16H2,1H3
InChIKeyAJSANMPYVRYUHY-UHFFFAOYSA-N
XLogP2.78
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 62039586
3-[5-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propan-1-amine
CID 115068648
2-[5-chloro-1-[(3-methylphenyl)methyl]pyrazol-4-yl]ethanamine
CID 115068545
4-(3-aminopropyl)-1-[(4-chlorophenyl)methyl]pyrazol-5-amine
CID 115069683
3-[1-[(4-bromophenyl)methyl]-5-methylpyrazol-4-yl]propan-1-amine
CID 63276856
3-[5-chloro-1-(2,2-dimethylpropyl)pyrazol-4-yl]propan-1-amine
CID 115068517
[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-4-yl]methanamine
CID 63278852
3-(1-benzyl-5-methoxypyrazol-4-yl)propan-1-amine
CID 115069221
3-[1-[(2-bromophenyl)methyl]-5-methylpyrazol-4-yl]propan-1-amine
CID 63276495
[1-[(4-methylphenyl)methyl]-5-propylpyrazol-4-yl]methanol
CID 66437458
2-(5-chloro-1-propylpyrazol-4-yl)ethanamine
CID 115017423
N-methyl-1-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methanamine
CID 54982266

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine?
The IUPAC name of 3-[5-chloro-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine (CID 115068649) is 3-[5-chloro-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[5-chloro-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[5-chloro-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine is Cc1ccc(Cn2ncc(CCCN)c2Cl)cc1.
What is the InChIKey of 3-[5-chloro-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine?
The InChIKey is AJSANMPYVRYUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-11-4-6-12(7-5-11)10-18-14(15)13(9-17-18)3-2-8-16/h4-7,9H,2-3,8,10,16H2,1H3.
What are the key properties of 3-[5-chloro-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine?
3-[5-chloro-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine has a molecular weight of 263.77 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 115068649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).