5-amino-3-[(3-chlorophenyl)methoxy]-1-(2-methylpropyl)pyrazole-4-carbonitrile

C15H17ClN4O — CID 100763119

IUPAC5-amino-3-[(3-chlorophenyl)methoxy]-1-(2-methylpropyl)pyrazole-4-carbonitrile
SMILESCC(C)Cn1nc(OCc2cccc(Cl)c2)c(C#N)c1N
InChIInChI=1S/C15H17ClN4O/c1-10(2)8-20-14(18)13(7-17)15(19-20)21-9-11-4-3-5-12(16)6-11/h3-6,10H,8-9,18H2,1-2H3
InChIKeyKUGQQIFUFKLQAB-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.23
Rot. Bonds5

About 5-amino-3-[(3-chlorophenyl)methoxy]-1-(2-methylpropyl)pyrazole-4-carbonitrile

5-amino-3-[(3-chlorophenyl)methoxy]-1-(2-methylpropyl)pyrazole-4-carbonitrile (PubChem CID 100763119) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 5-amino-3-[(3-chlorophenyl)methoxy]-1-(2-methylpropyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-[(3-chlorophenyl)methoxy]-1-(2-methylpropyl)pyrazole-4-carbonitrile
PubChem CID100763119
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name5-amino-3-[(3-chlorophenyl)methoxy]-1-(2-methylpropyl)pyrazole-4-carbonitrile
SMILESCC(C)Cn1nc(OCc2cccc(Cl)c2)c(C#N)c1N
InChIInChI=1S/C15H17ClN4O/c1-10(2)8-20-14(18)13(7-17)15(19-20)21-9-11-4-3-5-12(16)6-11/h3-6,10H,8-9,18H2,1-2H3
InChIKeyKUGQQIFUFKLQAB-UHFFFAOYSA-N
XLogP3.23
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-3-[(3-methylphenyl)methoxy]-1-(2-methylpropyl)pyrazole-4-carbonitrile
CID 100763103
5-amino-3-[(3,4-dimethylphenyl)methoxy]-1-(2-methylpropyl)pyrazole-4-carbonitrile
CID 100763144
5-amino-1-benzyl-3-phenylmethoxypyrazole-4-carbonitrile
CID 100764115
5-amino-1-ethyl-3-phenylmethoxypyrazole-4-carbonitrile
CID 100762021
5-amino-1-butyl-3-[(3-methoxyphenyl)methoxy]pyrazole-4-carbonitrile
CID 100762587
5-amino-1-[(3-chlorophenyl)methyl]-3-(propan-2-ylamino)pyrazole-4-carbonitrile
CID 102796523
5-amino-1-[(3-chlorophenyl)methyl]-3-methylsulfanylpyrazole-4-carbonitrile
CID 55172412
5-amino-1-[(4-chlorophenyl)methyl]-3-[(2,5-dimethylphenyl)methoxy]pyrazole-4-carbonitrile
CID 100764602
5-amino-1-[(2-fluorophenyl)methyl]-3-phenylmethoxypyrazole-4-carbonitrile
CID 100764765
2-[(3-chlorophenyl)methoxy]-6-methoxybenzonitrile
CID 53423180
5-amino-1-[(3-fluorophenyl)methyl]-3-[(2-methylphenyl)methoxy]pyrazole-4-carbonitrile
CID 100764922
4-[(3-chlorophenyl)methoxy]-2,6-dimethylpyridine-3-carbonitrile
CID 80979840

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[(3-chlorophenyl)methoxy]-1-(2-methylpropyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-[(3-chlorophenyl)methoxy]-1-(2-methylpropyl)pyrazole-4-carbonitrile (CID 100763119) is 5-amino-3-[(3-chlorophenyl)methoxy]-1-(2-methylpropyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-[(3-chlorophenyl)methoxy]-1-(2-methylpropyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-[(3-chlorophenyl)methoxy]-1-(2-methylpropyl)pyrazole-4-carbonitrile is CC(C)Cn1nc(OCc2cccc(Cl)c2)c(C#N)c1N.
What is the InChIKey of 5-amino-3-[(3-chlorophenyl)methoxy]-1-(2-methylpropyl)pyrazole-4-carbonitrile?
The InChIKey is KUGQQIFUFKLQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-10(2)8-20-14(18)13(7-17)15(19-20)21-9-11-4-3-5-12(16)6-11/h3-6,10H,8-9,18H2,1-2H3.
What are the key properties of 5-amino-3-[(3-chlorophenyl)methoxy]-1-(2-methylpropyl)pyrazole-4-carbonitrile?
5-amino-3-[(3-chlorophenyl)methoxy]-1-(2-methylpropyl)pyrazole-4-carbonitrile has a molecular weight of 304.78 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[(3-chlorophenyl)methoxy]-1-(2-methylpropyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 100763119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).