N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide

C24H25ClN6O3 — CID 139301830

About N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide

N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 139301830) has the molecular formula C24H25ClN6O3 and a molecular weight of 480.96 g/mol. Its IUPAC name is N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
• PubChem CID: 139301830
• Molecular Formula: C24H25ClN6O3
• Molecular Weight: 480.96 g/mol
• Exact Mass: 480.17
• IUPAC Name: N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
• SMILES: COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nn(C)cc1Cl
• InChI: InChI=1S/C24H25ClN6O3/c1-29-15-20(25)21(27-29)11-26-24(33)19-14-31(28-22(19)16-34-2)13-18-8-6-17(7-9-18)12-30-10-4-3-5-23(30)32/h3-10,14-15H,11-13,16H2,1-2H3,(H,26,33)
• InChIKey: ABMBBXRKNLCOIT-UHFFFAOYSA-N
• XLogP: 2.60
• TPSA: 95.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.96
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide?

The IUPAC name of N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide (CID 139301830) is N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide.

What is the SMILES notation for N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide?

The canonical SMILES for N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide is COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nn(C)cc1Cl.

What is the InChIKey of N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide?

The InChIKey is ABMBBXRKNLCOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O3/c1-29-15-20(25)21(27-29)11-26-24(33)19-14-31(28-22(19)16-34-2)13-18-8-6-17(7-9-18)12-30-10-4-3-5-23(30)32/h3-10,14-15H,11-13,16H2,1-2H3,(H,26,33).

What are the key properties of N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide?

N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 480.96 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 139301830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).