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

C13H15N3 — CID 105163593

IUPAC2-methyl-1-(1-phenylpyrazol-4-yl)prop-2-en-1-amine
SMILESC=C(C)C(N)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C13H15N3/c1-10(2)13(14)11-8-15-16(9-11)12-6-4-3-5-7-12/h3-9,13H,1,14H2,2H3
InChIKeyDHUBYGFJHCFCPC-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.45
Rot. Bonds3

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

2-methyl-1-(1-phenylpyrazol-4-yl)prop-2-en-1-amine (PubChem CID 105163593) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-methyl-1-(1-phenylpyrazol-4-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-1-(1-phenylpyrazol-4-yl)prop-2-en-1-amine
PubChem CID105163593
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name2-methyl-1-(1-phenylpyrazol-4-yl)prop-2-en-1-amine
SMILESC=C(C)C(N)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C13H15N3/c1-10(2)13(14)11-8-15-16(9-11)12-6-4-3-5-7-12/h3-9,13H,1,14H2,2H3
InChIKeyDHUBYGFJHCFCPC-UHFFFAOYSA-N
XLogP2.45
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.45
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

(1-phenylpyrazol-4-yl)methanediol
CID 70397428
1-(1-phenylpyrazol-4-yl)ethylhydrazine
CID 81470645
2-amino-2-[1-(4-fluorophenyl)pyrazol-4-yl]acetic acid
CID 83896432
[3-methylidene-1-(1-phenylpyrazol-4-yl)pentyl]hydrazine
CID 105320295
2,2,3,3,3-pentafluoro-1-(1-phenylpyrazol-4-yl)propan-1-amine
CID 43248561
methyl (3R)-3-amino-3-(1-phenylpyrazol-4-yl)propanoate
CID 29059511
methyl 3-amino-3-(1-phenylpyrazol-4-yl)propanoate
CID 43147874
2-chloro-N,N-dimethyl-2-(1-phenylpyrazol-4-yl)acetamide
CID 62225528
(2-methylsulfanylphenyl)-(1-phenylpyrazol-4-yl)methanamine
CID 79212353
N-methyl-1-(1-phenylpyrazol-4-yl)prop-2-en-1-amine
CID 105161286
(2-fluorophenyl)-(1-phenylpyrazol-4-yl)methanamine
CID 43322500
(3S)-3-acetamido-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 63650204

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-phenylpyrazol-4-yl)prop-2-en-1-amine?
The IUPAC name of 2-methyl-1-(1-phenylpyrazol-4-yl)prop-2-en-1-amine (CID 105163593) is 2-methyl-1-(1-phenylpyrazol-4-yl)prop-2-en-1-amine.
What is the SMILES notation for 2-methyl-1-(1-phenylpyrazol-4-yl)prop-2-en-1-amine?
The canonical SMILES for 2-methyl-1-(1-phenylpyrazol-4-yl)prop-2-en-1-amine is C=C(C)C(N)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-methyl-1-(1-phenylpyrazol-4-yl)prop-2-en-1-amine?
The InChIKey is DHUBYGFJHCFCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-10(2)13(14)11-8-15-16(9-11)12-6-4-3-5-7-12/h3-9,13H,1,14H2,2H3.
What are the key properties of 2-methyl-1-(1-phenylpyrazol-4-yl)prop-2-en-1-amine?
2-methyl-1-(1-phenylpyrazol-4-yl)prop-2-en-1-amine has a molecular weight of 213.28 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-phenylpyrazol-4-yl)prop-2-en-1-amine is sourced from PubChem (CID 105163593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).