[(1S,3S)-3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol

C16H19ClF2N4O — CID 167425973

IUPAC[(1S,3S)-3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol
SMILESOC[C@H]1CCC[C@H](Nc2cc(Cl)ncc2-c2ccn(C(F)F)n2)C1
InChIInChI=1S/C16H19ClF2N4O/c17-15-7-14(21-11-3-1-2-10(6-11)9-24)12(8-20-15)13-4-5-23(22-13)16(18)19/h4-5,7-8,10-11,16,24H,1-3,6,9H2,(H,20,21)/t10-,11-/m0/s1
InChIKeyDWWPUHVDBCQABO-QWRGUYRKSA-N
MW356.80 g/mol
LogP3.96
Rot. Bonds5

About [(1S,3S)-3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol

[(1S,3S)-3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol (PubChem CID 167425973) has the molecular formula C16H19ClF2N4O and a molecular weight of 356.80 g/mol. Its IUPAC name is [(1S,3S)-3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[(1S,3S)-3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol
PubChem CID167425973
Molecular FormulaC16H19ClF2N4O
Molecular Weight356.80 g/mol
Exact Mass356.12
IUPAC Name[(1S,3S)-3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol
SMILESOC[C@H]1CCC[C@H](Nc2cc(Cl)ncc2-c2ccn(C(F)F)n2)C1
InChIInChI=1S/C16H19ClF2N4O/c17-15-7-14(21-11-3-1-2-10(6-11)9-24)12(8-20-15)13-4-5-23(22-13)16(18)19/h4-5,7-8,10-11,16,24H,1-3,6,9H2,(H,20,21)/t10-,11-/m0/s1
InChIKeyDWWPUHVDBCQABO-QWRGUYRKSA-N
XLogP3.96
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.80
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(1S,3S)-3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(1-Methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]phenyl]ethanol
CID 71922317
1-(2-chloro-phenyl)-5-[6-(1,2,3,6-tetrahydropyridin-4-yl)-pyridin-3-yl]-3-[di-(trifluoromethyl)-hydroxy-methyl]-4,5-dihydro-1H-pyrazole hydrochloride
CID 118431672
2-[2-(2-Chlorophenyl)-3-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 118431673
4-(3-Chloro-2,6-difluorophenyl)-1-[3-(difluoromethyl)-8-hydroxy-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl]-2,3-dihydropyridin-6-one
CID 123642487
[4-[5-Cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]anilino]-(3,5-dichloropyridin-4-yl)methanol
CID 130411657
3-Chloro-5-[1-(3,3-difluorocyclobutyl)-5-(oxan-4-yl)pyrazol-3-yl]pyridine
CID 141405174
N-[1-[3-chloro-1-[(4,4-difluorocyclohexyl)methyl]-4-methylpyrazol-5-yl]ethenyl]-2-methylpyridin-4-amine;formamide
CID 166528458
4-[[2-Chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-cyclopropylcyclohexan-1-ol
CID 167425594
4-[[2-Chloro-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol
CID 167425605
4-[[2-Chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-(trifluoromethyl)cyclohexan-1-ol
CID 167425613
methyl N-tert-butyl-N-[[4-[[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]methyl]cyclohexyl]methyl]carbamate
CID 167425617
4-[[2-Chloro-5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol
CID 167425630

Frequently Asked Questions

What is the IUPAC name of [(1S,3S)-3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol?
The IUPAC name of [(1S,3S)-3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol (CID 167425973) is [(1S,3S)-3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol.
What is the SMILES notation for [(1S,3S)-3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol?
The canonical SMILES for [(1S,3S)-3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol is OC[C@H]1CCC[C@H](Nc2cc(Cl)ncc2-c2ccn(C(F)F)n2)C1.
What is the InChIKey of [(1S,3S)-3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol?
The InChIKey is DWWPUHVDBCQABO-QWRGUYRKSA-N. The full InChI is InChI=1S/C16H19ClF2N4O/c17-15-7-14(21-11-3-1-2-10(6-11)9-24)12(8-20-15)13-4-5-23(22-13)16(18)19/h4-5,7-8,10-11,16,24H,1-3,6,9H2,(H,20,21)/t10-,11-/m0/s1.
What are the key properties of [(1S,3S)-3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol?
[(1S,3S)-3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol has a molecular weight of 356.80 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S)-3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol is sourced from PubChem (CID 167425973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).