N-methyl-1-[1-(3-phenylprop-2-enyl)pyrazol-4-yl]methanamine

C14H17N3 — CID 155896567

IUPACN-methyl-1-[1-(3-phenylprop-2-enyl)pyrazol-4-yl]methanamine
SMILESCNCc1cnn(CC=Cc2ccccc2)c1
InChIInChI=1S/C14H17N3/c1-15-10-14-11-16-17(12-14)9-5-8-13-6-3-2-4-7-13/h2-8,11-12,15H,9-10H2,1H3
InChIKeyHIKCRBWPQFEGHY-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.32
Rot. Bonds5

About N-methyl-1-[1-(3-phenylprop-2-enyl)pyrazol-4-yl]methanamine

N-methyl-1-[1-(3-phenylprop-2-enyl)pyrazol-4-yl]methanamine (PubChem CID 155896567) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-methyl-1-[1-(3-phenylprop-2-enyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(3-phenylprop-2-enyl)pyrazol-4-yl]methanamine
PubChem CID155896567
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC NameN-methyl-1-[1-(3-phenylprop-2-enyl)pyrazol-4-yl]methanamine
SMILESCNCc1cnn(CC=Cc2ccccc2)c1
InChIInChI=1S/C14H17N3/c1-15-10-14-11-16-17(12-14)9-5-8-13-6-3-2-4-7-13/h2-8,11-12,15H,9-10H2,1H3
InChIKeyHIKCRBWPQFEGHY-UHFFFAOYSA-N
XLogP2.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-[1-(3-phenylprop-2-enyl)pyrazol-4-yl]methanamine 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

2-[1-(3-phenylprop-2-enyl)pyrazol-4-yl]ethanamine
CID 178184391
3-(diethylamino)-3-oxo-2-[[1-(3-phenylprop-2-enyl)pyrazol-4-yl]methyl]propanoic acid
CID 68507886
1-[1-(2,2-difluoro-2-phenylethyl)pyrazol-4-yl]-N-methylmethanamine
CID 116790455
(E)-4-[1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]but-3-en-2-one
CID 157139624
1-[(E)-3-phenylprop-2-enyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 122240505
1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 62730652
1-cyclopropyl-3-[(1-ethylpyrazol-4-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]urea
CID 119071445
1-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 62730298
1-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 62730113
N-methyl-1-[4-[(4-phenylpyrazol-1-yl)methyl]phenyl]methanamine
CID 62771701
(E)-4-[1-(3-phenylprop-2-enyl)triazol-4-yl]but-3-en-2-one
CID 141378131
2-(1-benzylpyrazol-4-yl)-N-methylethanamine
CID 83886802

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(3-phenylprop-2-enyl)pyrazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(3-phenylprop-2-enyl)pyrazol-4-yl]methanamine (CID 155896567) is N-methyl-1-[1-(3-phenylprop-2-enyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(3-phenylprop-2-enyl)pyrazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(3-phenylprop-2-enyl)pyrazol-4-yl]methanamine is CNCc1cnn(CC=Cc2ccccc2)c1.
What is the InChIKey of N-methyl-1-[1-(3-phenylprop-2-enyl)pyrazol-4-yl]methanamine?
The InChIKey is HIKCRBWPQFEGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-15-10-14-11-16-17(12-14)9-5-8-13-6-3-2-4-7-13/h2-8,11-12,15H,9-10H2,1H3.
What are the key properties of N-methyl-1-[1-(3-phenylprop-2-enyl)pyrazol-4-yl]methanamine?
N-methyl-1-[1-(3-phenylprop-2-enyl)pyrazol-4-yl]methanamine has a molecular weight of 227.31 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(3-phenylprop-2-enyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 155896567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).