N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide

C20H13Cl3FN5O — CID 19513744

About N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide

N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 19513744) has the molecular formula C20H13Cl3FN5O and a molecular weight of 464.72 g/mol. Its IUPAC name is N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
• PubChem CID: 19513744
• Molecular Formula: C20H13Cl3FN5O
• Molecular Weight: 464.72 g/mol
• Exact Mass: 463.02
• IUPAC Name: N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
• SMILES: O=C(Nc1nn(Cc2ccccc2F)cc1Cl)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1
• InChI: InChI=1S/C20H13Cl3FN5O/c21-13-6-5-11(7-14(13)22)17-8-18(27-26-17)20(30)25-19-15(23)10-29(28-19)9-12-3-1-2-4-16(12)24/h1-8,10H,9H2,(H,26,27)(H,25,28,30)
• InChIKey: XINSDXPYWZQYRZ-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 75.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.72
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide (CID 19513744) is N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide.

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

The canonical SMILES for N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide is O=C(Nc1nn(Cc2ccccc2F)cc1Cl)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1.

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

The InChIKey is XINSDXPYWZQYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl3FN5O/c21-13-6-5-11(7-14(13)22)17-8-18(27-26-17)20(30)25-19-15(23)10-29(28-19)9-12-3-1-2-4-16(12)24/h1-8,10H,9H2,(H,26,27)(H,25,28,30).

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

N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 464.72 g/mol, XLogP of 5.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19513744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).