1-(1-methylpyrazol-3-yl)-2-phenylbutan-2-amine

C14H19N3 — CID 82869830

IUPAC1-(1-methylpyrazol-3-yl)-2-phenylbutan-2-amine
SMILESCCC(N)(Cc1ccn(C)n1)c1ccccc1
InChIInChI=1S/C14H19N3/c1-3-14(15,12-7-5-4-6-8-12)11-13-9-10-17(2)16-13/h4-10H,3,11,15H2,1-2H3
InChIKeyGDNJBORCCHFDMN-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.23
Rot. Bonds4

About 1-(1-methylpyrazol-3-yl)-2-phenylbutan-2-amine

1-(1-methylpyrazol-3-yl)-2-phenylbutan-2-amine (PubChem CID 82869830) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)-2-phenylbutan-2-amine.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)-2-phenylbutan-2-amine
PubChem CID82869830
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-(1-methylpyrazol-3-yl)-2-phenylbutan-2-amine
SMILESCCC(N)(Cc1ccn(C)n1)c1ccccc1
InChIInChI=1S/C14H19N3/c1-3-14(15,12-7-5-4-6-8-12)11-13-9-10-17(2)16-13/h4-10H,3,11,15H2,1-2H3
InChIKeyGDNJBORCCHFDMN-UHFFFAOYSA-N
XLogP2.23
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-methylpyrazol-3-yl)-2-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

3-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-1-methylpyrazole
CID 82871774
2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butanoic acid
CID 82869291
2-(4-ethylphenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine
CID 82870218
2-(4-bromophenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine
CID 82869106
2-(3,4-dimethylphenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine
CID 82870328
3-phenylhexan-3-amine
CID 60794511
3-phenylpentan-3-amine;2-phenylpropan-2-amine
CID 67930723
3-ethyl-1-methylpyrazole;propane
CID 170573719
2-benzyl-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82877755
2-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1-phenylpropan-2-amine
CID 113343469
N-tert-butyl-2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
CID 82870837
N-ethyl-2,2-dimethyl-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82871999

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)-2-phenylbutan-2-amine?
The IUPAC name of 1-(1-methylpyrazol-3-yl)-2-phenylbutan-2-amine (CID 82869830) is 1-(1-methylpyrazol-3-yl)-2-phenylbutan-2-amine.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)-2-phenylbutan-2-amine?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)-2-phenylbutan-2-amine is CCC(N)(Cc1ccn(C)n1)c1ccccc1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)-2-phenylbutan-2-amine?
The InChIKey is GDNJBORCCHFDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-14(15,12-7-5-4-6-8-12)11-13-9-10-17(2)16-13/h4-10H,3,11,15H2,1-2H3.
What are the key properties of 1-(1-methylpyrazol-3-yl)-2-phenylbutan-2-amine?
1-(1-methylpyrazol-3-yl)-2-phenylbutan-2-amine has a molecular weight of 229.33 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)-2-phenylbutan-2-amine is sourced from PubChem (CID 82869830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).