N-[(2-chlorophenyl)methyl]-1,5-dimethylpyrazol-4-amine

C12H14ClN3 — CID 115899733

IUPACN-[(2-chlorophenyl)methyl]-1,5-dimethylpyrazol-4-amine
SMILESCc1c(NCc2ccccc2Cl)cnn1C
InChIInChI=1S/C12H14ClN3/c1-9-12(8-15-16(9)2)14-7-10-5-3-4-6-11(10)13/h3-6,8,14H,7H2,1-2H3
InChIKeyFCDKXIVGUMPZPC-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.99
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-1,5-dimethylpyrazol-4-amine

N-[(2-chlorophenyl)methyl]-1,5-dimethylpyrazol-4-amine (PubChem CID 115899733) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1,5-dimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1,5-dimethylpyrazol-4-amine
PubChem CID115899733
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC NameN-[(2-chlorophenyl)methyl]-1,5-dimethylpyrazol-4-amine
SMILESCc1c(NCc2ccccc2Cl)cnn1C
InChIInChI=1S/C12H14ClN3/c1-9-12(8-15-16(9)2)14-7-10-5-3-4-6-11(10)13/h3-6,8,14H,7H2,1-2H3
InChIKeyFCDKXIVGUMPZPC-UHFFFAOYSA-N
XLogP2.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-1,5-dimethylpyrazol-4-amine
CID 115899747
N-[(2,3-dimethoxyphenyl)methyl]-1,5-dimethylpyrazol-4-amine
CID 19625828
4-chloro-5-[(2-ethylphenyl)methylamino]-2-methylpyridazin-3-one
CID 115644108
N-[[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]methyl]-1,5-dimethylpyrazol-4-amine
CID 127265172
4-bromo-5-[(2-chlorophenyl)methylamino]-2-propylpyridazin-3-one
CID 114432195
4-chloro-5-[(2-methoxyphenyl)methylamino]-2-methylpyridazin-3-one
CID 33286975
2-chloro-N-[(2-chlorophenyl)methyl]-3-methylaniline
CID 114251746
N-[(2-chlorophenyl)methyl]-1-methyltetrazol-5-amine
CID 4725595
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 79578369
4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylaniline
CID 79578705
N-[(2-chlorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909171
4-chloro-2-methyl-5-[(2-nitrophenyl)methylamino]pyridazin-3-one
CID 47281920

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1,5-dimethylpyrazol-4-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1,5-dimethylpyrazol-4-amine (CID 115899733) is N-[(2-chlorophenyl)methyl]-1,5-dimethylpyrazol-4-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1,5-dimethylpyrazol-4-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1,5-dimethylpyrazol-4-amine is Cc1c(NCc2ccccc2Cl)cnn1C.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1,5-dimethylpyrazol-4-amine?
The InChIKey is FCDKXIVGUMPZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-9-12(8-15-16(9)2)14-7-10-5-3-4-6-11(10)13/h3-6,8,14H,7H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-1,5-dimethylpyrazol-4-amine?
N-[(2-chlorophenyl)methyl]-1,5-dimethylpyrazol-4-amine has a molecular weight of 235.72 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1,5-dimethylpyrazol-4-amine is sourced from PubChem (CID 115899733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).