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

C13H16ClN3O — CID 60899821

IUPAC1-(2-chloro-4-methylanilino)-3-pyrazol-1-ylpropan-2-ol
SMILESCc1ccc(NCC(O)Cn2cccn2)c(Cl)c1
InChIInChI=1S/C13H16ClN3O/c1-10-3-4-13(12(14)7-10)15-8-11(18)9-17-6-2-5-16-17/h2-7,11,15,18H,8-9H2,1H3
InChIKeyJTZVYXWMOCICJV-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.32
Rot. Bonds5

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

1-(2-chloro-4-methylanilino)-3-pyrazol-1-ylpropan-2-ol (PubChem CID 60899821) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 1-(2-chloro-4-methylanilino)-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-4-methylanilino)-3-pyrazol-1-ylpropan-2-ol
PubChem CID60899821
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name1-(2-chloro-4-methylanilino)-3-pyrazol-1-ylpropan-2-ol
SMILESCc1ccc(NCC(O)Cn2cccn2)c(Cl)c1
InChIInChI=1S/C13H16ClN3O/c1-10-3-4-13(12(14)7-10)15-8-11(18)9-17-6-2-5-16-17/h2-7,11,15,18H,8-9H2,1H3
InChIKeyJTZVYXWMOCICJV-UHFFFAOYSA-N
XLogP2.32
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloro-4-fluoroanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60899299
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-bromo-2-methylanilino)-3-pyrazol-1-ylpropan-2-ol
CID 107633847
1-(3,5-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60896952
1-(2,5-dimethoxyanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60898666
4-(2-chloro-4-methylanilino)-3-hydroxybutanoic acid
CID 103236425
1-[(1,5-dimethylpyrazol-3-yl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 114253550
2-(2-chloro-4-methylanilino)-1-phenylethanol
CID 55026534
1-(2-chloro-4-methylanilino)-3-(3-methylphenoxy)propan-2-ol
CID 60900392
1-[2-chloro-6-(trifluoromethyl)anilino]-3-pyrazol-1-ylpropan-2-ol
CID 60899820

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylanilino)-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1-(2-chloro-4-methylanilino)-3-pyrazol-1-ylpropan-2-ol (CID 60899821) is 1-(2-chloro-4-methylanilino)-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-(2-chloro-4-methylanilino)-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1-(2-chloro-4-methylanilino)-3-pyrazol-1-ylpropan-2-ol is Cc1ccc(NCC(O)Cn2cccn2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylanilino)-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is JTZVYXWMOCICJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-10-3-4-13(12(14)7-10)15-8-11(18)9-17-6-2-5-16-17/h2-7,11,15,18H,8-9H2,1H3.
What are the key properties of 1-(2-chloro-4-methylanilino)-3-pyrazol-1-ylpropan-2-ol?
1-(2-chloro-4-methylanilino)-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 265.74 g/mol, XLogP of 2.32, 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-methylanilino)-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 60899821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).