N-(5-cyclopropyl-1-methyltriazol-4-yl)-2-[2-oxo-2-[4-(1H-pyrazol-5-yl)phenyl]ethyl]cyclohexane-1-carboxamide

C24H28N6O2 — CID 139539403

About N-(5-cyclopropyl-1-methyltriazol-4-yl)-2-[2-oxo-2-[4-(1H-pyrazol-5-yl)phenyl]ethyl]cyclohexane-1-carboxamide

N-(5-cyclopropyl-1-methyltriazol-4-yl)-2-[2-oxo-2-[4-(1H-pyrazol-5-yl)phenyl]ethyl]cyclohexane-1-carboxamide (PubChem CID 139539403) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is N-(5-cyclopropyl-1-methyltriazol-4-yl)-2-[2-oxo-2-[4-(1H-pyrazol-5-yl)phenyl]ethyl]cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: N-(5-cyclopropyl-1-methyltriazol-4-yl)-2-[2-oxo-2-[4-(1H-pyrazol-5-yl)phenyl]ethyl]cyclohexane-1-carboxamide
• PubChem CID: 139539403
• Molecular Formula: C24H28N6O2
• Molecular Weight: 432.53 g/mol
• Exact Mass: 432.23
• IUPAC Name: N-(5-cyclopropyl-1-methyltriazol-4-yl)-2-[2-oxo-2-[4-(1H-pyrazol-5-yl)phenyl]ethyl]cyclohexane-1-carboxamide
• SMILES: Cn1nnc(NC(=O)C2CCCCC2CC(=O)c2ccc(-c3ccn[nH]3)cc2)c1C1CC1
• InChI: InChI=1S/C24H28N6O2/c1-30-22(17-10-11-17)23(28-29-30)26-24(32)19-5-3-2-4-18(19)14-21(31)16-8-6-15(7-9-16)20-12-13-25-27-20/h6-9,12-13,17-19H,2-5,10-11,14H2,1H3,(H,25,27)(H,26,32)
• InChIKey: PCNVTJDRLFAXAW-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 105.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.53
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1-methyltriazol-4-yl)-2-[2-oxo-2-[4-(1H-pyrazol-5-yl)phenyl]ethyl]cyclohexane-1-carboxamide?

The IUPAC name of N-(5-cyclopropyl-1-methyltriazol-4-yl)-2-[2-oxo-2-[4-(1H-pyrazol-5-yl)phenyl]ethyl]cyclohexane-1-carboxamide (CID 139539403) is N-(5-cyclopropyl-1-methyltriazol-4-yl)-2-[2-oxo-2-[4-(1H-pyrazol-5-yl)phenyl]ethyl]cyclohexane-1-carboxamide.

What is the SMILES notation for N-(5-cyclopropyl-1-methyltriazol-4-yl)-2-[2-oxo-2-[4-(1H-pyrazol-5-yl)phenyl]ethyl]cyclohexane-1-carboxamide?

The canonical SMILES for N-(5-cyclopropyl-1-methyltriazol-4-yl)-2-[2-oxo-2-[4-(1H-pyrazol-5-yl)phenyl]ethyl]cyclohexane-1-carboxamide is Cn1nnc(NC(=O)C2CCCCC2CC(=O)c2ccc(-c3ccn[nH]3)cc2)c1C1CC1.

What is the InChIKey of N-(5-cyclopropyl-1-methyltriazol-4-yl)-2-[2-oxo-2-[4-(1H-pyrazol-5-yl)phenyl]ethyl]cyclohexane-1-carboxamide?

The InChIKey is PCNVTJDRLFAXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-30-22(17-10-11-17)23(28-29-30)26-24(32)19-5-3-2-4-18(19)14-21(31)16-8-6-15(7-9-16)20-12-13-25-27-20/h6-9,12-13,17-19H,2-5,10-11,14H2,1H3,(H,25,27)(H,26,32).

What are the key properties of N-(5-cyclopropyl-1-methyltriazol-4-yl)-2-[2-oxo-2-[4-(1H-pyrazol-5-yl)phenyl]ethyl]cyclohexane-1-carboxamide?

N-(5-cyclopropyl-1-methyltriazol-4-yl)-2-[2-oxo-2-[4-(1H-pyrazol-5-yl)phenyl]ethyl]cyclohexane-1-carboxamide has a molecular weight of 432.53 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-cyclopropyl-1-methyltriazol-4-yl)-2-[2-oxo-2-[4-(1H-pyrazol-5-yl)phenyl]ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 139539403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).