N-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]methyl]propan-1-amine

C15H21N3 — CID 62730305

IUPACN-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cnn(Cc2ccccc2C)c1
InChIInChI=1S/C15H21N3/c1-3-8-16-9-14-10-17-18(11-14)12-15-7-5-4-6-13(15)2/h4-7,10-11,16H,3,8-9,12H2,1-2H3
InChIKeyQSJVCXAHELDYBY-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.74
Rot. Bonds6

About N-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]methyl]propan-1-amine

N-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]methyl]propan-1-amine (PubChem CID 62730305) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]methyl]propan-1-amine
PubChem CID62730305
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cnn(Cc2ccccc2C)c1
InChIInChI=1S/C15H21N3/c1-3-8-16-9-14-10-17-18(11-14)12-15-7-5-4-6-13(15)2/h4-7,10-11,16H,3,8-9,12H2,1-2H3
InChIKeyQSJVCXAHELDYBY-UHFFFAOYSA-N
XLogP2.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 60699444
N-[[1-[(3,5-dimethylphenyl)methyl]pyrazol-4-yl]methyl]propan-1-amine
CID 55111012
N-[[1-[(2-bromophenyl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 62731931
N-[[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 105375094
N-[[1-[(2-bromo-4-fluorophenyl)methyl]pyrazol-4-yl]methyl]propan-1-amine
CID 62729753
3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propan-1-ol
CID 63272329
N-[[1-[(2,5-dimethylphenyl)methyl]pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 62731772
N-[[1-[(2-chloro-4-nitrophenyl)methyl]pyrazol-4-yl]methyl]propan-1-amine
CID 62730307
N-[[1-[(4-chloro-2-nitrophenyl)methyl]pyrazol-4-yl]methyl]propan-1-amine
CID 62731938
N'-[(1-benzylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 60888359
1-benzyl-N-[(2-methylphenyl)methyl]pyrazol-4-amine
CID 60931144
2-[[(1-propylpyrazol-4-yl)methylamino]methyl]phenol;hydrochloride
CID 126965886

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]methyl]propan-1-amine (CID 62730305) is N-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]methyl]propan-1-amine is CCCNCc1cnn(Cc2ccccc2C)c1.
What is the InChIKey of N-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]methyl]propan-1-amine?
The InChIKey is QSJVCXAHELDYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-8-16-9-14-10-17-18(11-14)12-15-7-5-4-6-13(15)2/h4-7,10-11,16H,3,8-9,12H2,1-2H3.
What are the key properties of N-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]methyl]propan-1-amine?
N-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]methyl]propan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 62730305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).