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

C14H17ClF2N4O — CID 167425750

IUPAC3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-3-methylbutan-2-ol
SMILESCC(O)C(C)(C)Nc1cc(Cl)ncc1-c1ccn(C(F)F)n1
InChIInChI=1S/C14H17ClF2N4O/c1-8(22)14(2,3)19-11-6-12(15)18-7-9(11)10-4-5-21(20-10)13(16)17/h4-8,13,22H,1-3H3,(H,18,19)
InChIKeySQDCDQNLYATNKW-UHFFFAOYSA-N
MW330.77 g/mol
LogP3.56
Rot. Bonds5

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

3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-3-methylbutan-2-ol (PubChem CID 167425750) has the molecular formula C14H17ClF2N4O and a molecular weight of 330.77 g/mol. Its IUPAC name is 3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-3-methylbutan-2-ol.

Molecular Properties

Compound Name3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-3-methylbutan-2-ol
PubChem CID167425750
Molecular FormulaC14H17ClF2N4O
Molecular Weight330.77 g/mol
Exact Mass330.11
IUPAC Name3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-3-methylbutan-2-ol
SMILESCC(O)C(C)(C)Nc1cc(Cl)ncc1-c1ccn(C(F)F)n1
InChIInChI=1S/C14H17ClF2N4O/c1-8(22)14(2,3)19-11-6-12(15)18-7-9(11)10-4-5-21(20-10)13(16)17/h4-8,13,22H,1-3H3,(H,18,19)
InChIKeySQDCDQNLYATNKW-UHFFFAOYSA-N
XLogP3.56
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 53.56
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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Related Compounds

1-({[3-(2-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}amino)-2-butanol
CID 45212002
3-chloro-2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-4-amine
CID 100619549
2-Chloro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine
CID 54248695
2-chloro-N-propan-2-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridin-4-amine
CID 124160394
4-[3-chloro-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-pyridinyl]-N-[(2E,4Z)-6-chloro-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 131969560
6-Chloro-5-[1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 137373970
[1-[[2-Chloro-6-(trifluoromethyl)pyridin-3-yl]methyl]pyrazol-4-yl]methanamine
CID 146194144
(2R)-1-[4-[4-(2-chloro-6-fluorophenyl)-1H-pyrrol-2-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 154636071
2-Chloro-6-[1-(2,3-dihydroxypropyl)pyrazol-4-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 155385401
1-[3-[5-Chloro-3-(difluoromethyl)-2-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 156539456
1-[3-[5-Amino-3-(difluoromethyl)-2-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 156539746
1-[3-[3-(Difluoromethyl)-5-(methylamino)-2-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 156563914

Frequently Asked Questions

What is the IUPAC name of 3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-3-methylbutan-2-ol?
The IUPAC name of 3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-3-methylbutan-2-ol (CID 167425750) is 3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-3-methylbutan-2-ol.
What is the SMILES notation for 3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-3-methylbutan-2-ol?
The canonical SMILES for 3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-3-methylbutan-2-ol is CC(O)C(C)(C)Nc1cc(Cl)ncc1-c1ccn(C(F)F)n1.
What is the InChIKey of 3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-3-methylbutan-2-ol?
The InChIKey is SQDCDQNLYATNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF2N4O/c1-8(22)14(2,3)19-11-6-12(15)18-7-9(11)10-4-5-21(20-10)13(16)17/h4-8,13,22H,1-3H3,(H,18,19).
What are the key properties of 3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-3-methylbutan-2-ol?
3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-3-methylbutan-2-ol has a molecular weight of 330.77 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-3-methylbutan-2-ol is sourced from PubChem (CID 167425750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).