N-methyl-1-(1-phenylpyrazol-4-yl)prop-2-en-1-amine

C13H15N3 — CID 105161286

IUPACN-methyl-1-(1-phenylpyrazol-4-yl)prop-2-en-1-amine
SMILESC=CC(NC)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C13H15N3/c1-3-13(14-2)11-9-15-16(10-11)12-7-5-4-6-8-12/h3-10,13-14H,1H2,2H3
InChIKeyYIIFVGAIDSQTLI-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.32
Rot. Bonds4

About N-methyl-1-(1-phenylpyrazol-4-yl)prop-2-en-1-amine

N-methyl-1-(1-phenylpyrazol-4-yl)prop-2-en-1-amine (PubChem CID 105161286) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-methyl-1-(1-phenylpyrazol-4-yl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-1-(1-phenylpyrazol-4-yl)prop-2-en-1-amine
PubChem CID105161286
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC NameN-methyl-1-(1-phenylpyrazol-4-yl)prop-2-en-1-amine
SMILESC=CC(NC)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C13H15N3/c1-3-13(14-2)11-9-15-16(10-11)12-7-5-4-6-8-12/h3-10,13-14H,1H2,2H3
InChIKeyYIIFVGAIDSQTLI-UHFFFAOYSA-N
XLogP2.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-amine
CID 43486000
N-methyl-1-(4-methylphenyl)-1-(1-phenylpyrazol-4-yl)methanamine
CID 43486037
1-(1-phenylpyrazol-4-yl)ethylhydrazine
CID 81470645
(1-phenylpyrazol-4-yl)methanediol
CID 70397428
3-(methylamino)-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 65236429
N-methyl-1-(2-methylcyclopropyl)-1-(1-phenylpyrazol-4-yl)methanamine
CID 43486036
1-(2-fluorophenyl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
CID 43486021
1-cyclobutyl-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
CID 43486034
1-(furan-2-yl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
CID 43485984
(Z)-3-fluoro-3-(1-phenylpyrazol-4-yl)prop-1-en-1-ol
CID 174462820
3-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]butan-2-amine
CID 81300600
N-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine
CID 82706482

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-phenylpyrazol-4-yl)prop-2-en-1-amine?
The IUPAC name of N-methyl-1-(1-phenylpyrazol-4-yl)prop-2-en-1-amine (CID 105161286) is N-methyl-1-(1-phenylpyrazol-4-yl)prop-2-en-1-amine.
What is the SMILES notation for N-methyl-1-(1-phenylpyrazol-4-yl)prop-2-en-1-amine?
The canonical SMILES for N-methyl-1-(1-phenylpyrazol-4-yl)prop-2-en-1-amine is C=CC(NC)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-methyl-1-(1-phenylpyrazol-4-yl)prop-2-en-1-amine?
The InChIKey is YIIFVGAIDSQTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-3-13(14-2)11-9-15-16(10-11)12-7-5-4-6-8-12/h3-10,13-14H,1H2,2H3.
What are the key properties of N-methyl-1-(1-phenylpyrazol-4-yl)prop-2-en-1-amine?
N-methyl-1-(1-phenylpyrazol-4-yl)prop-2-en-1-amine has a molecular weight of 213.28 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-phenylpyrazol-4-yl)prop-2-en-1-amine is sourced from PubChem (CID 105161286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).