2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]prop-2-en-1-amine

C14H17N3 — CID 114615905

IUPAC2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]prop-2-en-1-amine
SMILESC=C(C)CNCc1ccn(-c2ccccc2)n1
InChIInChI=1S/C14H17N3/c1-12(2)10-15-11-13-8-9-17(16-13)14-6-4-3-5-7-14/h3-9,15H,1,10-11H2,2H3
InChIKeySAFVWBBNILYLBK-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.54
Rot. Bonds5

About 2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]prop-2-en-1-amine

2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]prop-2-en-1-amine (PubChem CID 114615905) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]prop-2-en-1-amine
PubChem CID114615905
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]prop-2-en-1-amine
SMILESC=C(C)CNCc1ccn(-c2ccccc2)n1
InChIInChI=1S/C14H17N3/c1-12(2)10-15-11-13-8-9-17(16-13)14-6-4-3-5-7-14/h3-9,15H,1,10-11H2,2H3
InChIKeySAFVWBBNILYLBK-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
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

3-methyl-N-[(1-phenylpyrazol-3-yl)methyl]butan-1-amine
CID 62887084
2-methyl-2-[(1-phenylpyrazol-3-yl)methylamino]propanoic acid
CID 65264157
N',N'-diethyl-N-[(1-phenylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 62887436
4-[(1-phenylpyrazol-3-yl)methylamino]butanoic acid
CID 55127369
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylprop-2-en-1-amine
CID 114616836
4-[[(1-phenylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 106126263
(2S)-2-[(1-phenylpyrazol-3-yl)methylamino]propanoic acid
CID 83194927
4-methyl-2-[[(1-phenylpyrazol-3-yl)methylamino]methyl]pentanoic acid
CID 122073188
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(1-phenylpyrazol-3-yl)methanamine
CID 103908833
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1-phenylpyrazol-3-yl)methanamine
CID 62885165
N-[[1-[(1-phenylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718601
1-(3-methyl-4-pyridinyl)-N-[(1-phenylpyrazol-3-yl)methyl]methanamine
CID 114699258

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]prop-2-en-1-amine?
The IUPAC name of 2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]prop-2-en-1-amine (CID 114615905) is 2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for 2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for 2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]prop-2-en-1-amine is C=C(C)CNCc1ccn(-c2ccccc2)n1.
What is the InChIKey of 2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]prop-2-en-1-amine?
The InChIKey is SAFVWBBNILYLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-12(2)10-15-11-13-8-9-17(16-13)14-6-4-3-5-7-14/h3-9,15H,1,10-11H2,2H3.
What are the key properties of 2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]prop-2-en-1-amine?
2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]prop-2-en-1-amine has a molecular weight of 227.31 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 114615905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).