4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-2,2-dimethylcyclohexan-1-ol

C17H21ClF2N4O — CID 167425800

About 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-2,2-dimethylcyclohexan-1-ol

4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-2,2-dimethylcyclohexan-1-ol (PubChem CID 167425800) has the molecular formula C17H21ClF2N4O and a molecular weight of 370.83 g/mol. Its IUPAC name is 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-2,2-dimethylcyclohexan-1-ol.

Molecular Properties

• Compound Name: 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-2,2-dimethylcyclohexan-1-ol
• PubChem CID: 167425800
• Molecular Formula: C17H21ClF2N4O
• Molecular Weight: 370.83 g/mol
• Exact Mass: 370.14
• IUPAC Name: 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-2,2-dimethylcyclohexan-1-ol
• SMILES: CC1(C)CC(Nc2cc(Cl)ncc2-c2ccn(C(F)F)n2)CCC1O
• InChI: InChI=1S/C17H21ClF2N4O/c1-17(2)8-10(3-4-14(17)25)22-13-7-15(18)21-9-11(13)12-5-6-24(23-12)16(19)20/h5-7,9-10,14,16,25H,3-4,8H2,1-2H3,(H,21,22)
• InChIKey: NZNQWOKHERRJAT-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 62.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.83
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-2,2-dimethylcyclohexan-1-ol?

The IUPAC name of 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-2,2-dimethylcyclohexan-1-ol (CID 167425800) is 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-2,2-dimethylcyclohexan-1-ol.

What is the SMILES notation for 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-2,2-dimethylcyclohexan-1-ol?

The canonical SMILES for 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-2,2-dimethylcyclohexan-1-ol is CC1(C)CC(Nc2cc(Cl)ncc2-c2ccn(C(F)F)n2)CCC1O.

What is the InChIKey of 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-2,2-dimethylcyclohexan-1-ol?

The InChIKey is NZNQWOKHERRJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClF2N4O/c1-17(2)8-10(3-4-14(17)25)22-13-7-15(18)21-9-11(13)12-5-6-24(23-12)16(19)20/h5-7,9-10,14,16,25H,3-4,8H2,1-2H3,(H,21,22).

What are the key properties of 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-2,2-dimethylcyclohexan-1-ol?

4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-2,2-dimethylcyclohexan-1-ol has a molecular weight of 370.83 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-2,2-dimethylcyclohexan-1-ol is sourced from PubChem (CID 167425800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).