1-benzyl-N-prop-2-enylpyrazol-3-amine

C13H15N3 — CID 126655418

IUPAC1-benzyl-N-prop-2-enylpyrazol-3-amine
SMILESC=CCNc1ccn(Cc2ccccc2)n1
InChIInChI=1S/C13H15N3/c1-2-9-14-13-8-10-16(15-13)11-12-6-4-3-5-7-12/h2-8,10H,1,9,11H2,(H,14,15)
InChIKeyKTNGGPGVRHUDQC-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.53
Rot. Bonds5

About 1-benzyl-N-prop-2-enylpyrazol-3-amine

1-benzyl-N-prop-2-enylpyrazol-3-amine (PubChem CID 126655418) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-benzyl-N-prop-2-enylpyrazol-3-amine.

Molecular Properties

Compound Name1-benzyl-N-prop-2-enylpyrazol-3-amine
PubChem CID126655418
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name1-benzyl-N-prop-2-enylpyrazol-3-amine
SMILESC=CCNc1ccn(Cc2ccccc2)n1
InChIInChI=1S/C13H15N3/c1-2-9-14-13-8-10-16(15-13)11-12-6-4-3-5-7-12/h2-8,10H,1,9,11H2,(H,14,15)
InChIKeyKTNGGPGVRHUDQC-UHFFFAOYSA-N
XLogP2.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.53
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-benzyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine
CID 71969697
1-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-prop-2-enylthiourea
CID 4772393
2-(4-benzylpiperazin-1-yl)-6-methyl-N-prop-2-enylpyrimidin-4-amine
CID 112907733
1-(1-benzylpyrazol-3-yl)-3-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]thiourea
CID 19395285
1-benzyl-3-bromopyrazole
CID 97053225
1-(1-benzylpyrazol-3-yl)-3-(4-fluorophenyl)thiourea
CID 17284114
5-[[(1-benzylpyrazol-3-yl)amino]methyl]-2-methoxyphenol
CID 71918483
3-(1-benzylpyrazol-3-yl)-1-(2-hydroxyethyl)-1-methylurea
CID 111453132
N-(1-benzylpyrazol-3-yl)quinazolin-4-amine
CID 133287406
N-[2-[(1-benzylpyrazol-3-yl)amino]-2-oxoethyl]benzamide
CID 47066196
1-(1-benzylpyrazol-3-yl)-3-(4-methoxyphenyl)urea
CID 17266369
N-(1-benzylpyrazol-3-yl)-4-ethylbenzamide
CID 19286300

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-prop-2-enylpyrazol-3-amine?
The IUPAC name of 1-benzyl-N-prop-2-enylpyrazol-3-amine (CID 126655418) is 1-benzyl-N-prop-2-enylpyrazol-3-amine.
What is the SMILES notation for 1-benzyl-N-prop-2-enylpyrazol-3-amine?
The canonical SMILES for 1-benzyl-N-prop-2-enylpyrazol-3-amine is C=CCNc1ccn(Cc2ccccc2)n1.
What is the InChIKey of 1-benzyl-N-prop-2-enylpyrazol-3-amine?
The InChIKey is KTNGGPGVRHUDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-2-9-14-13-8-10-16(15-13)11-12-6-4-3-5-7-12/h2-8,10H,1,9,11H2,(H,14,15).
What are the key properties of 1-benzyl-N-prop-2-enylpyrazol-3-amine?
1-benzyl-N-prop-2-enylpyrazol-3-amine has a molecular weight of 213.28 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-prop-2-enylpyrazol-3-amine is sourced from PubChem (CID 126655418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).