1-(3,4-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol

C12H13Cl2N3O — CID 60897345

IUPAC1-(3,4-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol
SMILESOC(CNc1ccc(Cl)c(Cl)c1)Cn1cccn1
InChIInChI=1S/C12H13Cl2N3O/c13-11-3-2-9(6-12(11)14)15-7-10(18)8-17-5-1-4-16-17/h1-6,10,15,18H,7-8H2
InChIKeyDFDNRGQLGHDYSR-UHFFFAOYSA-N
MW286.16 g/mol
LogP2.66
Rot. Bonds5

About 1-(3,4-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol

1-(3,4-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol (PubChem CID 60897345) has the molecular formula C12H13Cl2N3O and a molecular weight of 286.16 g/mol. Its IUPAC name is 1-(3,4-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(3,4-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol
PubChem CID60897345
Molecular FormulaC12H13Cl2N3O
Molecular Weight286.16 g/mol
Exact Mass285.04
IUPAC Name1-(3,4-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol
SMILESOC(CNc1ccc(Cl)c(Cl)c1)Cn1cccn1
InChIInChI=1S/C12H13Cl2N3O/c13-11-3-2-9(6-12(11)14)15-7-10(18)8-17-5-1-4-16-17/h1-6,10,15,18H,7-8H2
InChIKeyDFDNRGQLGHDYSR-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-(3,5-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60896952
1-(5-bromo-2-chloroanilino)-3-pyrazol-1-ylpropan-2-ol
CID 55132052
1-[3-(dimethylamino)-4-methylanilino]-3-pyrazol-1-ylpropan-2-ol
CID 115378206
1-(2-chloro-4-methylanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60899821
1-(2-chloro-4-fluoroanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60899299
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-[(5-chloroquinolin-8-yl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 116783900
1-chloro-3-(3-chloro-4-pyrazol-1-ylanilino)propan-2-ol
CID 168638319
1-(3-butan-2-yloxyanilino)-3-pyrazol-1-ylpropan-2-ol
CID 62329267
3-(3-chloro-4-pyrazol-1-ylanilino)propane-1,2-diol
CID 168596526
1-[2-chloro-6-(trifluoromethyl)anilino]-3-pyrazol-1-ylpropan-2-ol
CID 60899820

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1-(3,4-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol (CID 60897345) is 1-(3,4-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-(3,4-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1-(3,4-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol is OC(CNc1ccc(Cl)c(Cl)c1)Cn1cccn1.
What is the InChIKey of 1-(3,4-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is DFDNRGQLGHDYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O/c13-11-3-2-9(6-12(11)14)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-(3,4-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol?
1-(3,4-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-(3,4-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 60897345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).