1-prop-2-enyl-N-(1H-pyrazol-5-ylmethyl)indole-3-carboxamide

C16H16N4O — CID 56819715

IUPAC1-prop-2-enyl-N-(1H-pyrazol-5-ylmethyl)indole-3-carboxamide
SMILESC=CCn1cc(C(=O)NCc2ccn[nH]2)c2ccccc21
InChIInChI=1S/C16H16N4O/c1-2-9-20-11-14(13-5-3-4-6-15(13)20)16(21)17-10-12-7-8-18-19-12/h2-8,11H,1,9-10H2,(H,17,21)(H,18,19)
InChIKeyGOLCQOVJOJXVJX-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.48
Rot. Bonds5

About 1-prop-2-enyl-N-(1H-pyrazol-5-ylmethyl)indole-3-carboxamide

1-prop-2-enyl-N-(1H-pyrazol-5-ylmethyl)indole-3-carboxamide (PubChem CID 56819715) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-prop-2-enyl-N-(1H-pyrazol-5-ylmethyl)indole-3-carboxamide.

Molecular Properties

Compound Name1-prop-2-enyl-N-(1H-pyrazol-5-ylmethyl)indole-3-carboxamide
PubChem CID56819715
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name1-prop-2-enyl-N-(1H-pyrazol-5-ylmethyl)indole-3-carboxamide
SMILESC=CCn1cc(C(=O)NCc2ccn[nH]2)c2ccccc21
InChIInChI=1S/C16H16N4O/c1-2-9-20-11-14(13-5-3-4-6-15(13)20)16(21)17-10-12-7-8-18-19-12/h2-8,11H,1,9-10H2,(H,17,21)(H,18,19)
InChIKeyGOLCQOVJOJXVJX-UHFFFAOYSA-N
XLogP2.48
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-prop-2-enyl-N-(1H-pyrazol-5-ylmethyl)indole-3-carboxamide 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

1-hydroxy-N-(1H-pyrazol-5-ylmethyl)naphthalene-2-carboxamide
CID 60975854
N-(2-oxo-2-piperidin-1-ylethyl)-1-prop-2-enylindole-3-carboxamide
CID 47488355
2-amino-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 61285252
2,3-dihydroxy-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 114344962
2,6-dihydroxy-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 113346790
(4-iodophenyl)-(1-prop-2-enylindol-3-yl)methanone
CID 170857263
2-(ethylamino)-2-methyl-1-(1-prop-2-enylindol-3-yl)propan-1-one;hydrochloride
CID 14069779
4-methyl-N-(1H-pyrazol-5-ylmethyl)thiophene-3-carboxamide
CID 79777719
3-oxo-3-(1H-pyrazol-5-ylmethylamino)propanoic acid
CID 62232296
4-(1-prop-2-enylindol-3-yl)-1H-pyrazolo[5,4-b]pyridine-6-carboxamide
CID 59805808
2-(1-prop-2-enylindol-3-yl)ethene-1,1,2-tricarbonitrile
CID 23880072
N'-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-1-prop-2-enylindole-3-carbohydrazide
CID 60583657

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-N-(1H-pyrazol-5-ylmethyl)indole-3-carboxamide?
The IUPAC name of 1-prop-2-enyl-N-(1H-pyrazol-5-ylmethyl)indole-3-carboxamide (CID 56819715) is 1-prop-2-enyl-N-(1H-pyrazol-5-ylmethyl)indole-3-carboxamide.
What is the SMILES notation for 1-prop-2-enyl-N-(1H-pyrazol-5-ylmethyl)indole-3-carboxamide?
The canonical SMILES for 1-prop-2-enyl-N-(1H-pyrazol-5-ylmethyl)indole-3-carboxamide is C=CCn1cc(C(=O)NCc2ccn[nH]2)c2ccccc21.
What is the InChIKey of 1-prop-2-enyl-N-(1H-pyrazol-5-ylmethyl)indole-3-carboxamide?
The InChIKey is GOLCQOVJOJXVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-2-9-20-11-14(13-5-3-4-6-15(13)20)16(21)17-10-12-7-8-18-19-12/h2-8,11H,1,9-10H2,(H,17,21)(H,18,19).
What are the key properties of 1-prop-2-enyl-N-(1H-pyrazol-5-ylmethyl)indole-3-carboxamide?
1-prop-2-enyl-N-(1H-pyrazol-5-ylmethyl)indole-3-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-N-(1H-pyrazol-5-ylmethyl)indole-3-carboxamide is sourced from PubChem (CID 56819715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).