N-[(3-amino-4-chlorophenyl)methyl]-1,5-dimethylpyrazol-3-amine

C12H15ClN4 — CID 114253659

IUPACN-[(3-amino-4-chlorophenyl)methyl]-1,5-dimethylpyrazol-3-amine
SMILESCc1cc(NCc2ccc(Cl)c(N)c2)nn1C
InChIInChI=1S/C12H15ClN4/c1-8-5-12(16-17(8)2)15-7-9-3-4-10(13)11(14)6-9/h3-6H,7,14H2,1-2H3,(H,15,16)
InChIKeyOXVZXVHSGZYBGO-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.58
Rot. Bonds3

About N-[(3-amino-4-chlorophenyl)methyl]-1,5-dimethylpyrazol-3-amine

N-[(3-amino-4-chlorophenyl)methyl]-1,5-dimethylpyrazol-3-amine (PubChem CID 114253659) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is N-[(3-amino-4-chlorophenyl)methyl]-1,5-dimethylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(3-amino-4-chlorophenyl)methyl]-1,5-dimethylpyrazol-3-amine
PubChem CID114253659
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC NameN-[(3-amino-4-chlorophenyl)methyl]-1,5-dimethylpyrazol-3-amine
SMILESCc1cc(NCc2ccc(Cl)c(N)c2)nn1C
InChIInChI=1S/C12H15ClN4/c1-8-5-12(16-17(8)2)15-7-9-3-4-10(13)11(14)6-9/h3-6H,7,14H2,1-2H3,(H,15,16)
InChIKeyOXVZXVHSGZYBGO-UHFFFAOYSA-N
XLogP2.58
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)methyl]-1,5-dimethylpyrazol-3-amine
CID 113290173
4-[[(1,5-dimethylpyrazol-3-yl)amino]methyl]-2-methoxyphenol;hydrochloride
CID 126965279
4-[[(1,5-dimethylpyrazol-3-yl)amino]methyl]-2-fluorobenzoic acid
CID 114253713
1,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 19626325
N-[(2,6-dimethylphenyl)methyl]-1,5-dimethylpyrazol-3-amine
CID 113349771
N-[(2,5-dimethylfuran-3-yl)methyl]-1,5-dimethylpyrazol-3-amine
CID 115876966
1,5-dimethyl-N-(1,2,5-thiadiazol-3-ylmethyl)pyrazol-3-amine
CID 130961358
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,5-dimethylpyrazol-3-amine
CID 115751678
N-[(2-bromophenyl)methyl]-1,5-dimethylpyrazol-3-amine
CID 115751708
N-[(1,4-dimethylpyrazol-5-yl)methyl]-1,5-dimethylpyrazol-3-amine
CID 122166863
4-[[(1,5-dimethylpyrazol-3-yl)amino]methyl]benzene-1,3-diol
CID 19627587
2-[[(1,5-dimethylpyrazol-3-yl)amino]methyl]-4-methylphenol
CID 113290187

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-4-chlorophenyl)methyl]-1,5-dimethylpyrazol-3-amine?
The IUPAC name of N-[(3-amino-4-chlorophenyl)methyl]-1,5-dimethylpyrazol-3-amine (CID 114253659) is N-[(3-amino-4-chlorophenyl)methyl]-1,5-dimethylpyrazol-3-amine.
What is the SMILES notation for N-[(3-amino-4-chlorophenyl)methyl]-1,5-dimethylpyrazol-3-amine?
The canonical SMILES for N-[(3-amino-4-chlorophenyl)methyl]-1,5-dimethylpyrazol-3-amine is Cc1cc(NCc2ccc(Cl)c(N)c2)nn1C.
What is the InChIKey of N-[(3-amino-4-chlorophenyl)methyl]-1,5-dimethylpyrazol-3-amine?
The InChIKey is OXVZXVHSGZYBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c1-8-5-12(16-17(8)2)15-7-9-3-4-10(13)11(14)6-9/h3-6H,7,14H2,1-2H3,(H,15,16).
What are the key properties of N-[(3-amino-4-chlorophenyl)methyl]-1,5-dimethylpyrazol-3-amine?
N-[(3-amino-4-chlorophenyl)methyl]-1,5-dimethylpyrazol-3-amine has a molecular weight of 250.73 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-4-chlorophenyl)methyl]-1,5-dimethylpyrazol-3-amine is sourced from PubChem (CID 114253659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).