N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide

C23H19Cl2F2N5O2 — CID 19514130

About N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide

N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 19514130) has the molecular formula C23H19Cl2F2N5O2 and a molecular weight of 506.34 g/mol. Its IUPAC name is N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
• PubChem CID: 19514130
• Molecular Formula: C23H19Cl2F2N5O2
• Molecular Weight: 506.34 g/mol
• Exact Mass: 505.09
• IUPAC Name: N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
• SMILES: Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)c1cc(-c2ccc(OC(F)F)cc2)n[nH]1
• InChI: InChI=1S/C23H19Cl2F2N5O2/c1-12-21(13(2)32(31-12)11-15-3-6-16(24)9-18(15)25)28-22(33)20-10-19(29-30-20)14-4-7-17(8-5-14)34-23(26)27/h3-10,23H,11H2,1-2H3,(H,28,33)(H,29,30)
• InChIKey: CCJMYBCPJHXPOV-UHFFFAOYSA-N
• XLogP: 6.10
• TPSA: 84.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.34
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide?

The IUPAC name of N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide (CID 19514130) is N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide.

What is the SMILES notation for N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide?

The canonical SMILES for N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide is Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)c1cc(-c2ccc(OC(F)F)cc2)n[nH]1.

What is the InChIKey of N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide?

The InChIKey is CCJMYBCPJHXPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2F2N5O2/c1-12-21(13(2)32(31-12)11-15-3-6-16(24)9-18(15)25)28-22(33)20-10-19(29-30-20)14-4-7-17(8-5-14)34-23(26)27/h3-10,23H,11H2,1-2H3,(H,28,33)(H,29,30).

What are the key properties of N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide?

N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 506.34 g/mol, XLogP of 6.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19514130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).