1-[(4-methylphenyl)methyl]pyrazol-4-amine;hydrochloride

C11H14ClN3 — CID 16640517

IUPAC1-[(4-methylphenyl)methyl]pyrazol-4-amine;hydrochloride
SMILESCc1ccc(Cn2cc(N)cn2)cc1.Cl
InChIInChI=1S/C11H13N3.ClH/c1-9-2-4-10(5-3-9)7-14-8-11(12)6-13-14;/h2-6,8H,7,12H2,1H3;1H
InChIKeyNLFMLYPLOKIDGW-UHFFFAOYSA-N
MW223.71 g/mol
LogP2.24
Rot. Bonds2

About 1-[(4-methylphenyl)methyl]pyrazol-4-amine;hydrochloride

1-[(4-methylphenyl)methyl]pyrazol-4-amine;hydrochloride (PubChem CID 16640517) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]pyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]pyrazol-4-amine;hydrochloride
PubChem CID16640517
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC Name1-[(4-methylphenyl)methyl]pyrazol-4-amine;hydrochloride
SMILESCc1ccc(Cn2cc(N)cn2)cc1.Cl
InChIInChI=1S/C11H13N3.ClH/c1-9-2-4-10(5-3-9)7-14-8-11(12)6-13-14;/h2-6,8H,7,12H2,1H3;1H
InChIKeyNLFMLYPLOKIDGW-UHFFFAOYSA-N
XLogP2.24
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(4-methylphenyl)methyl]pyrazol-4-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-chloro-3-methylphenyl)methyl]pyrazol-4-amine
CID 152953618
1-[(4-ethoxyphenyl)methyl]pyrazol-4-amine
CID 82285149
1-[(3-methylphenyl)methyl]pyrazol-4-amine
CID 7017120
4-iodo-1-[(4-methylphenyl)methyl]pyrazole
CID 15942918
1-[[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 62329913
1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde
CID 43471151
1-[(4-chloro-3-fluorophenyl)methyl]pyrazol-4-amine
CID 75357825
1-[(4-methylpyrazol-1-yl)methyl]pyrazol-4-amine;dihydrochloride
CID 90484274
1-[(3-chlorophenyl)methyl]pyrazol-4-amine
CID 7017127
1-[(3-methoxyphenyl)methyl]pyrazol-4-amine;hydrochloride
CID 44630925
4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]aniline
CID 63328527
N-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 61272505

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]pyrazol-4-amine;hydrochloride?
The IUPAC name of 1-[(4-methylphenyl)methyl]pyrazol-4-amine;hydrochloride (CID 16640517) is 1-[(4-methylphenyl)methyl]pyrazol-4-amine;hydrochloride.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]pyrazol-4-amine;hydrochloride?
The canonical SMILES for 1-[(4-methylphenyl)methyl]pyrazol-4-amine;hydrochloride is Cc1ccc(Cn2cc(N)cn2)cc1.Cl.
What is the InChIKey of 1-[(4-methylphenyl)methyl]pyrazol-4-amine;hydrochloride?
The InChIKey is NLFMLYPLOKIDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3.ClH/c1-9-2-4-10(5-3-9)7-14-8-11(12)6-13-14;/h2-6,8H,7,12H2,1H3;1H.
What are the key properties of 1-[(4-methylphenyl)methyl]pyrazol-4-amine;hydrochloride?
1-[(4-methylphenyl)methyl]pyrazol-4-amine;hydrochloride has a molecular weight of 223.71 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]pyrazol-4-amine;hydrochloride is sourced from PubChem (CID 16640517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).