2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine

C16H23N3 — CID 115621711

IUPAC2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine
SMILESCn1cc(CNC(C)(C)CCc2ccccc2)cn1
InChIInChI=1S/C16H23N3/c1-16(2,10-9-14-7-5-4-6-8-14)17-11-15-12-18-19(3)13-15/h4-8,12-13,17H,9-11H2,1-3H3
InChIKeyMUQPFQUSZXJZKP-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.92
Rot. Bonds6

About 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine

2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine (PubChem CID 115621711) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine
PubChem CID115621711
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine
SMILESCn1cc(CNC(C)(C)CCc2ccccc2)cn1
InChIInChI=1S/C16H23N3/c1-16(2,10-9-14-7-5-4-6-8-14)17-11-15-12-18-19(3)13-15/h4-8,12-13,17H,9-11H2,1-3H3
InChIKeyMUQPFQUSZXJZKP-UHFFFAOYSA-N
XLogP2.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine 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-benzyl-1H-pyrazol-4-amine
CID 206694
4-(1H-pyrazol-1-ylmethyl)aniline
CID 2764412
1-Benzyl-1H-pyrazole
CID 3546441
1-(2-phenylethyl)-1H-pyrazole
CID 11126737
Fezolamine
CID 54567
1-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}methanamine
CID 5200398
1-ethyl-3-methyl-4-[(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methyl]-1H-pyrazole
CID 2986538
4-methyl-N-(5-phenylpentyl)pyrazole-1-carboxamide
CID 118526618
((1-benzyl-1H-pyrazol-4-yl)methyl)(methyl)amine
CID 7131412
1-Benzyl-4-iodo-1H-pyrazole
CID 3794579
1-Methyl-4-phenyl-1H-pyrazole
CID 13692442
3-[2-(2,4-difluorophenyl)ethyl]-1-[(1-methyl-1H-pyrazol-4-yl)methyl]piperidine
CID 45227951

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine?
The IUPAC name of 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine (CID 115621711) is 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine.
What is the SMILES notation for 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine?
The canonical SMILES for 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine is Cn1cc(CNC(C)(C)CCc2ccccc2)cn1.
What is the InChIKey of 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine?
The InChIKey is MUQPFQUSZXJZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-16(2,10-9-14-7-5-4-6-8-14)17-11-15-12-18-19(3)13-15/h4-8,12-13,17H,9-11H2,1-3H3.
What are the key properties of 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine?
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine has a molecular weight of 257.38 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine is sourced from PubChem (CID 115621711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).