N-(3-pyrazol-1-ylphenyl)-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide

C19H18N4O2S — CID 45196635

IUPACN-(3-pyrazol-1-ylphenyl)-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(-n2cccn2)c1)C1CCCN1C(=O)c1ccsc1
InChIInChI=1S/C19H18N4O2S/c24-18(17-6-2-9-22(17)19(25)14-7-11-26-13-14)21-15-4-1-5-16(12-15)23-10-3-8-20-23/h1,3-5,7-8,10-13,17H,2,6,9H2,(H,21,24)
InChIKeyDAKPEARYCPZPAQ-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.18
Rot. Bonds4

About N-(3-pyrazol-1-ylphenyl)-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide

N-(3-pyrazol-1-ylphenyl)-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 45196635) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is N-(3-pyrazol-1-ylphenyl)-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-pyrazol-1-ylphenyl)-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide
PubChem CID45196635
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC NameN-(3-pyrazol-1-ylphenyl)-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(-n2cccn2)c1)C1CCCN1C(=O)c1ccsc1
InChIInChI=1S/C19H18N4O2S/c24-18(17-6-2-9-22(17)19(25)14-7-11-26-13-14)21-15-4-1-5-16(12-15)23-10-3-8-20-23/h1,3-5,7-8,10-13,17H,2,6,9H2,(H,21,24)
InChIKeyDAKPEARYCPZPAQ-UHFFFAOYSA-N
XLogP3.18
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3-methylpyrazol-1-yl)phenyl]thiophene-2-carboxamide
CID 5298288
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide
CID 2329736
N-Cyclohexyl-2-(1,3-dimethyl-1H-pyrazol-4-yl)-2-[(4-fluoro-phenyl)-(2-thiophen-2-yl-acetyl)-amino]-acetamide
CID 3191222
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 16308031
2-{3,4-Dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL}-N-[2-(thiophen-2-YL)ethyl]propanamide
CID 20919719
(E)-N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide
CID 24981883
N'-[(3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]-2-thiophenecarbohydrazide
CID 9583897
2-{3,4-Dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL}-N-[(thiophen-2-YL)methyl]propanamide
CID 20919700
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 24792052
N-[5-[[(2S)-1-amino-4-cyclohexyl-1-oxobutan-2-yl]carbamoyl]thiophen-2-yl]-1-phenylpyrazole-4-carboxamide
CID 155562188
N-[5-[[(2S)-1-amino-4-cyclohexyl-1-oxobutan-2-yl]carbamoyl]thiophen-2-yl]-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 155568803
N-Cyclohexyl-2-(1,3-dimethyl-1H-pyrazol-4-yl)-2-[(2-thiophen-2-yl-acetyl)-o-tolyl-amino]-acetamide
CID 3191219

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrazol-1-ylphenyl)-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(3-pyrazol-1-ylphenyl)-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide (CID 45196635) is N-(3-pyrazol-1-ylphenyl)-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-pyrazol-1-ylphenyl)-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-pyrazol-1-ylphenyl)-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide is O=C(Nc1cccc(-n2cccn2)c1)C1CCCN1C(=O)c1ccsc1.
What is the InChIKey of N-(3-pyrazol-1-ylphenyl)-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is DAKPEARYCPZPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c24-18(17-6-2-9-22(17)19(25)14-7-11-26-13-14)21-15-4-1-5-16(12-15)23-10-3-8-20-23/h1,3-5,7-8,10-13,17H,2,6,9H2,(H,21,24).
What are the key properties of N-(3-pyrazol-1-ylphenyl)-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide?
N-(3-pyrazol-1-ylphenyl)-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 366.45 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrazol-1-ylphenyl)-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 45196635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).