1-methyl-N-prop-2-enyl-5-pyrrol-1-ylpyrazole-4-carboxamide

C12H14N4O — CID 2809081

IUPAC1-methyl-N-prop-2-enyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESC=CCNC(=O)c1cnn(C)c1-n1cccc1
InChIInChI=1S/C12H14N4O/c1-3-6-13-11(17)10-9-14-15(2)12(10)16-7-4-5-8-16/h3-5,7-9H,1,6H2,2H3,(H,13,17)
InChIKeyXFTSETNWJQUEJD-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.13
Rot. Bonds4

About 1-methyl-N-prop-2-enyl-5-pyrrol-1-ylpyrazole-4-carboxamide

1-methyl-N-prop-2-enyl-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 2809081) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-methyl-N-prop-2-enyl-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-prop-2-enyl-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID2809081
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name1-methyl-N-prop-2-enyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESC=CCNC(=O)c1cnn(C)c1-n1cccc1
InChIInChI=1S/C12H14N4O/c1-3-6-13-11(17)10-9-14-15(2)12(10)16-7-4-5-8-16/h3-5,7-9H,1,6H2,2H3,(H,13,17)
InChIKeyXFTSETNWJQUEJD-UHFFFAOYSA-N
XLogP1.13
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 2809080
1-Methyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide
CID 2809082
1-phenyl-N-propyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide
CID 6623544
N,1-dimethyl-N-[2-oxo-2-(2-sulfanylethylamino)ethyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 177680101
N-(3-methacrylamidopropyl)-2-(1-methyl-1h-pyrrol-2-yl)-2h-tetrazole-5-carboxamide
CID 168377086
1-methyl-N-propyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38026625
N,N-diethyl-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 53581339
1-Methyl-5-pyrrol-1-yl-1h-pyrazole-4-carbonyl fluoride
CID 58724547
(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 38161369
(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 38161370
(1-Methyl-5-pyrrol-1-ylpyrazol-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 45806677
1-methyl-5-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 47150749

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-prop-2-enyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-prop-2-enyl-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 2809081) is 1-methyl-N-prop-2-enyl-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-prop-2-enyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-prop-2-enyl-5-pyrrol-1-ylpyrazole-4-carboxamide is C=CCNC(=O)c1cnn(C)c1-n1cccc1.
What is the InChIKey of 1-methyl-N-prop-2-enyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is XFTSETNWJQUEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-3-6-13-11(17)10-9-14-15(2)12(10)16-7-4-5-8-16/h3-5,7-9H,1,6H2,2H3,(H,13,17).
What are the key properties of 1-methyl-N-prop-2-enyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
1-methyl-N-prop-2-enyl-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-prop-2-enyl-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 2809081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).