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

C17H21ClF2N4O — CID 167425800

IUPAC4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-2,2-dimethylcyclohexan-1-ol
SMILESCC1(C)CC(Nc2cc(Cl)ncc2-c2ccn(C(F)F)n2)CCC1O
InChIInChI=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)
InChIKeyNZNQWOKHERRJAT-UHFFFAOYSA-N
MW370.83 g/mol
LogP4.35
Rot. Bonds4

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 Name4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-2,2-dimethylcyclohexan-1-ol
PubChem CID167425800
Molecular FormulaC17H21ClF2N4O
Molecular Weight370.83 g/mol
Exact Mass370.14
IUPAC Name4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-2,2-dimethylcyclohexan-1-ol
SMILESCC1(C)CC(Nc2cc(Cl)ncc2-c2ccn(C(F)F)n2)CCC1O
InChIInChI=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)
InChIKeyNZNQWOKHERRJAT-UHFFFAOYSA-N
XLogP4.35
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.83
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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).