N-(1-methylpyrrolidin-3-yl)-3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carboxamide

C15H18N4OS — CID 165407935

IUPACN-(1-methylpyrrolidin-3-yl)-3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carboxamide
SMILESCN1CCC(NC(=O)n2ccc(/C=C/c3cccs3)n2)C1
InChIInChI=1S/C15H18N4OS/c1-18-8-6-13(11-18)16-15(20)19-9-7-12(17-19)4-5-14-3-2-10-21-14/h2-5,7,9-10,13H,6,8,11H2,1H3,(H,16,20)/b5-4+
InChIKeyGCWNDGUKKZSCNH-SNAWJCMRSA-N
MW302.40 g/mol
LogP2.38
Rot. Bonds3

About N-(1-methylpyrrolidin-3-yl)-3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carboxamide

N-(1-methylpyrrolidin-3-yl)-3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carboxamide (PubChem CID 165407935) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is N-(1-methylpyrrolidin-3-yl)-3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrrolidin-3-yl)-3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carboxamide
PubChem CID165407935
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC NameN-(1-methylpyrrolidin-3-yl)-3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carboxamide
SMILESCN1CCC(NC(=O)n2ccc(/C=C/c3cccs3)n2)C1
InChIInChI=1S/C15H18N4OS/c1-18-8-6-13(11-18)16-15(20)19-9-7-12(17-19)4-5-14-3-2-10-21-14/h2-5,7,9-10,13H,6,8,11H2,1H3,(H,16,20)/b5-4+
InChIKeyGCWNDGUKKZSCNH-SNAWJCMRSA-N
XLogP2.38
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-phenyl-3-(2-thiophen-2-ylethenyl)pyrazole-1-carboxamide
CID 66955096
thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone
CID 42634273
thiophen-3-yl-[3-(2-thiophen-2-ylethenyl)pyrazol-1-yl]methanone
CID 66962023
(E)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-3-thiophen-2-ylprop-2-enamide
CID 99696678
(E)-N-cyclopentyl-3-thiophen-2-ylprop-2-enamide
CID 2164351
N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide
CID 59568965
(E)-3-(4-aminophenyl)-N-(1-methylpyrrolidin-3-yl)prop-2-enamide
CID 115343735
N-cyclopropyl-5-(2-thiophen-2-ylethenyl)-1,2-oxazole-3-carboxamide
CID 74335612
3-hydroxy-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 61465245
(Z)-N-[(1S,2R)-2-methylcyclohexyl]-3-thiophen-2-ylprop-2-enamide
CID 92909639
(2R)-2-hydroxy-N-(1-methylpyrrolidin-3-yl)propanamide
CID 130918497
3,6-dimethyl-2-[(1-methylpyrrolidin-3-yl)carbamoyl]benzoic acid
CID 103428990

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrrolidin-3-yl)-3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carboxamide?
The IUPAC name of N-(1-methylpyrrolidin-3-yl)-3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carboxamide (CID 165407935) is N-(1-methylpyrrolidin-3-yl)-3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carboxamide.
What is the SMILES notation for N-(1-methylpyrrolidin-3-yl)-3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carboxamide?
The canonical SMILES for N-(1-methylpyrrolidin-3-yl)-3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carboxamide is CN1CCC(NC(=O)n2ccc(/C=C/c3cccs3)n2)C1.
What is the InChIKey of N-(1-methylpyrrolidin-3-yl)-3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carboxamide?
The InChIKey is GCWNDGUKKZSCNH-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-18-8-6-13(11-18)16-15(20)19-9-7-12(17-19)4-5-14-3-2-10-21-14/h2-5,7,9-10,13H,6,8,11H2,1H3,(H,16,20)/b5-4+.
What are the key properties of N-(1-methylpyrrolidin-3-yl)-3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carboxamide?
N-(1-methylpyrrolidin-3-yl)-3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrrolidin-3-yl)-3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carboxamide is sourced from PubChem (CID 165407935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).