1-benzyl-3-(4-chlorophenyl)-4-nitrosopyrazol-5-amine

C16H13ClN4O — CID 42873101

IUPAC1-benzyl-3-(4-chlorophenyl)-4-nitrosopyrazol-5-amine
SMILESNc1c(N=O)c(-c2ccc(Cl)cc2)nn1Cc1ccccc1
InChIInChI=1S/C16H13ClN4O/c17-13-8-6-12(7-9-13)14-15(20-22)16(18)21(19-14)10-11-4-2-1-3-5-11/h1-9H,10,18H2
InChIKeyNVHORDAFQAWKNU-UHFFFAOYSA-N
MW312.76 g/mol
LogP4.23
Rot. Bonds4

About 1-benzyl-3-(4-chlorophenyl)-4-nitrosopyrazol-5-amine

1-benzyl-3-(4-chlorophenyl)-4-nitrosopyrazol-5-amine (PubChem CID 42873101) has the molecular formula C16H13ClN4O and a molecular weight of 312.76 g/mol. Its IUPAC name is 1-benzyl-3-(4-chlorophenyl)-4-nitrosopyrazol-5-amine.

Molecular Properties

Compound Name1-benzyl-3-(4-chlorophenyl)-4-nitrosopyrazol-5-amine
PubChem CID42873101
Molecular FormulaC16H13ClN4O
Molecular Weight312.76 g/mol
Exact Mass312.08
IUPAC Name1-benzyl-3-(4-chlorophenyl)-4-nitrosopyrazol-5-amine
SMILESNc1c(N=O)c(-c2ccc(Cl)cc2)nn1Cc1ccccc1
InChIInChI=1S/C16H13ClN4O/c17-13-8-6-12(7-9-13)14-15(20-22)16(18)21(19-14)10-11-4-2-1-3-5-11/h1-9H,10,18H2
InChIKeyNVHORDAFQAWKNU-UHFFFAOYSA-N
XLogP4.23
TPSA73.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-amino-1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-3-cyclopropylurea
CID 42685065
1-[5-amino-1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-3-(2-phenoxyethyl)urea
CID 42685078
1,5-dibenzyl-3-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 11742503
1-benzyl-3-(4-chlorophenyl)-6,7-dihydro-4H-indazol-5-one
CID 67269636
5-amino-1-benzyl-4-methylpyrazole-3-carboxylic acid
CID 82589961
2-benzyl-4-(4-chlorophenyl)-6-N-cyclopentylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668036
2-benzyl-4-(4-chlorophenyl)-6-phenyl-3-sulfanylidene-1,2,4-triazin-5-one
CID 134095455
1-[1-benzyl-3-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 70447751
4-[4-(4-chlorophenyl)-5-methyl-1-(2-phenylethyl)pyrazol-3-yl]benzenesulfonamide
CID 19355267
1-benzyl-4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-5-(phenylmethoxymethyl)pyrazole
CID 19355419
5-amino-2-benzyltriazole-4-carboxylic acid
CID 84724246
1-benzyl-3-(2-fluorophenyl)-4-methylpyrazol-5-amine
CID 53416535

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-chlorophenyl)-4-nitrosopyrazol-5-amine?
The IUPAC name of 1-benzyl-3-(4-chlorophenyl)-4-nitrosopyrazol-5-amine (CID 42873101) is 1-benzyl-3-(4-chlorophenyl)-4-nitrosopyrazol-5-amine.
What is the SMILES notation for 1-benzyl-3-(4-chlorophenyl)-4-nitrosopyrazol-5-amine?
The canonical SMILES for 1-benzyl-3-(4-chlorophenyl)-4-nitrosopyrazol-5-amine is Nc1c(N=O)c(-c2ccc(Cl)cc2)nn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-(4-chlorophenyl)-4-nitrosopyrazol-5-amine?
The InChIKey is NVHORDAFQAWKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O/c17-13-8-6-12(7-9-13)14-15(20-22)16(18)21(19-14)10-11-4-2-1-3-5-11/h1-9H,10,18H2.
What are the key properties of 1-benzyl-3-(4-chlorophenyl)-4-nitrosopyrazol-5-amine?
1-benzyl-3-(4-chlorophenyl)-4-nitrosopyrazol-5-amine has a molecular weight of 312.76 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-chlorophenyl)-4-nitrosopyrazol-5-amine is sourced from PubChem (CID 42873101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).