1-(2-chloro-4-fluoroanilino)-3-pyrazol-1-ylpropan-2-ol

C12H13ClFN3O — CID 60899299

IUPAC1-(2-chloro-4-fluoroanilino)-3-pyrazol-1-ylpropan-2-ol
SMILESOC(CNc1ccc(F)cc1Cl)Cn1cccn1
InChIInChI=1S/C12H13ClFN3O/c13-11-6-9(14)2-3-12(11)15-7-10(18)8-17-5-1-4-16-17/h1-6,10,15,18H,7-8H2
InChIKeyRIHOJSAUIMRRLO-UHFFFAOYSA-N
MW269.71 g/mol
LogP2.15
Rot. Bonds5

About 1-(2-chloro-4-fluoroanilino)-3-pyrazol-1-ylpropan-2-ol

1-(2-chloro-4-fluoroanilino)-3-pyrazol-1-ylpropan-2-ol (PubChem CID 60899299) has the molecular formula C12H13ClFN3O and a molecular weight of 269.71 g/mol. Its IUPAC name is 1-(2-chloro-4-fluoroanilino)-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-4-fluoroanilino)-3-pyrazol-1-ylpropan-2-ol
PubChem CID60899299
Molecular FormulaC12H13ClFN3O
Molecular Weight269.71 g/mol
Exact Mass269.07
IUPAC Name1-(2-chloro-4-fluoroanilino)-3-pyrazol-1-ylpropan-2-ol
SMILESOC(CNc1ccc(F)cc1Cl)Cn1cccn1
InChIInChI=1S/C12H13ClFN3O/c13-11-6-9(14)2-3-12(11)15-7-10(18)8-17-5-1-4-16-17/h1-6,10,15,18H,7-8H2
InChIKeyRIHOJSAUIMRRLO-UHFFFAOYSA-N
XLogP2.15
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloro-4-methylanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60899821
1-(5-bromo-2-chloroanilino)-3-pyrazol-1-ylpropan-2-ol
CID 55132052
1-(3,4-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60897345
1-[(5-chloroquinolin-8-yl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 116783900
1-(3,5-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60896952
1-pyrazol-1-yl-3-[2-(trifluoromethoxy)anilino]propan-2-ol
CID 60897534
1-[2-chloro-6-(trifluoromethyl)anilino]-3-pyrazol-1-ylpropan-2-ol
CID 60899820
1-(2,4-dimethoxyanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60898605
1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-3-pyrazol-1-ylpropan-2-ol
CID 81347331
1-(3-bromo-2-methylanilino)-3-pyrazol-1-ylpropan-2-ol
CID 107633847
1-(2,5-dimethoxyanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60898666
1-[(2-fluorophenyl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 60899710

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluoroanilino)-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1-(2-chloro-4-fluoroanilino)-3-pyrazol-1-ylpropan-2-ol (CID 60899299) is 1-(2-chloro-4-fluoroanilino)-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-(2-chloro-4-fluoroanilino)-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1-(2-chloro-4-fluoroanilino)-3-pyrazol-1-ylpropan-2-ol is OC(CNc1ccc(F)cc1Cl)Cn1cccn1.
What is the InChIKey of 1-(2-chloro-4-fluoroanilino)-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is RIHOJSAUIMRRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3O/c13-11-6-9(14)2-3-12(11)15-7-10(18)8-17-5-1-4-16-17/h1-6,10,15,18H,7-8H2.
What are the key properties of 1-(2-chloro-4-fluoroanilino)-3-pyrazol-1-ylpropan-2-ol?
1-(2-chloro-4-fluoroanilino)-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 269.71 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluoroanilino)-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 60899299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).