1-(3,5-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol

C12H13Cl2N3O — CID 60896952

IUPAC1-(3,5-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol
SMILESOC(CNc1cc(Cl)cc(Cl)c1)Cn1cccn1
InChIInChI=1S/C12H13Cl2N3O/c13-9-4-10(14)6-11(5-9)15-7-12(18)8-17-3-1-2-16-17/h1-6,12,15,18H,7-8H2
InChIKeyXVPVYJKECBLYHK-UHFFFAOYSA-N
MW286.16 g/mol
LogP2.66
Rot. Bonds5

About 1-(3,5-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol

1-(3,5-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol (PubChem CID 60896952) has the molecular formula C12H13Cl2N3O and a molecular weight of 286.16 g/mol. Its IUPAC name is 1-(3,5-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(3,5-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol
PubChem CID60896952
Molecular FormulaC12H13Cl2N3O
Molecular Weight286.16 g/mol
Exact Mass285.04
IUPAC Name1-(3,5-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol
SMILESOC(CNc1cc(Cl)cc(Cl)c1)Cn1cccn1
InChIInChI=1S/C12H13Cl2N3O/c13-9-4-10(14)6-11(5-9)15-7-12(18)8-17-3-1-2-16-17/h1-6,12,15,18H,7-8H2
InChIKeyXVPVYJKECBLYHK-UHFFFAOYSA-N
XLogP2.66
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60897345
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-(2-chloro-4-fluoroanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60899299
1-[3-(dimethylamino)-4-methylanilino]-3-pyrazol-1-ylpropan-2-ol
CID 115378206
1-(4-bromo-3-methoxyanilino)-3-pyrazol-1-ylpropan-2-ol
CID 82868105
1-(1,3-benzothiazol-6-ylamino)-3-pyrazol-1-ylpropan-2-ol
CID 107804842
1-[(1,5-dimethylpyrazol-3-yl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 114253550
1-(3-butan-2-yloxyanilino)-3-pyrazol-1-ylpropan-2-ol
CID 62329267
1-amino-3-(3,5-dichloroanilino)propan-2-ol
CID 82044189
1-[2-chloro-6-(trifluoromethyl)anilino]-3-pyrazol-1-ylpropan-2-ol
CID 60899820
1-[(5-chloroquinolin-8-yl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 116783900

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1-(3,5-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol (CID 60896952) is 1-(3,5-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-(3,5-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1-(3,5-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol is OC(CNc1cc(Cl)cc(Cl)c1)Cn1cccn1.
What is the InChIKey of 1-(3,5-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is XVPVYJKECBLYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O/c13-9-4-10(14)6-11(5-9)15-7-12(18)8-17-3-1-2-16-17/h1-6,12,15,18H,7-8H2.
What are the key properties of 1-(3,5-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol?
1-(3,5-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 286.16 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 60896952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).