N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylmethyl)pyrazole-5-carboxamide

C24H23Cl2N5O3 — CID 139370621

About N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylmethyl)pyrazole-5-carboxamide

N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylmethyl)pyrazole-5-carboxamide (PubChem CID 139370621) has the molecular formula C24H23Cl2N5O3 and a molecular weight of 500.39 g/mol. Its IUPAC name is N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylmethyl)pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylmethyl)pyrazole-5-carboxamide
• PubChem CID: 139370621
• Molecular Formula: C24H23Cl2N5O3
• Molecular Weight: 500.39 g/mol
• Exact Mass: 499.12
• IUPAC Name: N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylmethyl)pyrazole-5-carboxamide
• SMILES: Cc1cc(Cl)cc(C(=O)NC2CC2)c1NC(=O)c1cc(CC2COC2)nn1-c1ncccc1Cl
• InChI: InChI=1S/C24H23Cl2N5O3/c1-13-7-15(25)9-18(23(32)28-16-4-5-16)21(13)29-24(33)20-10-17(8-14-11-34-12-14)30-31(20)22-19(26)3-2-6-27-22/h2-3,6-7,9-10,14,16H,4-5,8,11-12H2,1H3,(H,28,32)(H,29,33)
• InChIKey: CGRAPEPMTSBEAI-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 98.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.39
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylmethyl)pyrazole-5-carboxamide?

The IUPAC name of N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylmethyl)pyrazole-5-carboxamide (CID 139370621) is N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylmethyl)pyrazole-5-carboxamide.

What is the SMILES notation for N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylmethyl)pyrazole-5-carboxamide?

The canonical SMILES for N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylmethyl)pyrazole-5-carboxamide is Cc1cc(Cl)cc(C(=O)NC2CC2)c1NC(=O)c1cc(CC2COC2)nn1-c1ncccc1Cl.

What is the InChIKey of N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylmethyl)pyrazole-5-carboxamide?

The InChIKey is CGRAPEPMTSBEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N5O3/c1-13-7-15(25)9-18(23(32)28-16-4-5-16)21(13)29-24(33)20-10-17(8-14-11-34-12-14)30-31(20)22-19(26)3-2-6-27-22/h2-3,6-7,9-10,14,16H,4-5,8,11-12H2,1H3,(H,28,32)(H,29,33).

What are the key properties of N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylmethyl)pyrazole-5-carboxamide?

N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylmethyl)pyrazole-5-carboxamide has a molecular weight of 500.39 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylmethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 139370621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).