N-(1-benzylpyrrolidin-3-yl)-5-thiophen-3-yl-1H-pyrazole-4-carboxamide

C19H20N4OS — CID 139011250

IUPACN-(1-benzylpyrrolidin-3-yl)-5-thiophen-3-yl-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)C1)c1cn[nH]c1-c1ccsc1
InChIInChI=1S/C19H20N4OS/c24-19(17-10-20-22-18(17)15-7-9-25-13-15)21-16-6-8-23(12-16)11-14-4-2-1-3-5-14/h1-5,7,9-10,13,16H,6,8,11-12H2,(H,20,22)(H,21,24)
InChIKeyXVDFRBAPMUUWJZ-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.14
Rot. Bonds5

About N-(1-benzylpyrrolidin-3-yl)-5-thiophen-3-yl-1H-pyrazole-4-carboxamide

N-(1-benzylpyrrolidin-3-yl)-5-thiophen-3-yl-1H-pyrazole-4-carboxamide (PubChem CID 139011250) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-5-thiophen-3-yl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-5-thiophen-3-yl-1H-pyrazole-4-carboxamide
PubChem CID139011250
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-5-thiophen-3-yl-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)C1)c1cn[nH]c1-c1ccsc1
InChIInChI=1S/C19H20N4OS/c24-19(17-10-20-22-18(17)15-7-9-25-13-15)21-16-6-8-23(12-16)11-14-4-2-1-3-5-14/h1-5,7,9-10,13,16H,6,8,11-12H2,(H,20,22)(H,21,24)
InChIKeyXVDFRBAPMUUWJZ-UHFFFAOYSA-N
XLogP3.14
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazole-4-carboxamide
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N-[(3S)-1-benzylpyrrolidin-3-yl]-2-phenylsulfanylpyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-5-thiophen-3-yl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-5-thiophen-3-yl-1H-pyrazole-4-carboxamide (CID 139011250) is N-(1-benzylpyrrolidin-3-yl)-5-thiophen-3-yl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-5-thiophen-3-yl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-5-thiophen-3-yl-1H-pyrazole-4-carboxamide is O=C(NC1CCN(Cc2ccccc2)C1)c1cn[nH]c1-c1ccsc1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-5-thiophen-3-yl-1H-pyrazole-4-carboxamide?
The InChIKey is XVDFRBAPMUUWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c24-19(17-10-20-22-18(17)15-7-9-25-13-15)21-16-6-8-23(12-16)11-14-4-2-1-3-5-14/h1-5,7,9-10,13,16H,6,8,11-12H2,(H,20,22)(H,21,24).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-5-thiophen-3-yl-1H-pyrazole-4-carboxamide?
N-(1-benzylpyrrolidin-3-yl)-5-thiophen-3-yl-1H-pyrazole-4-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-5-thiophen-3-yl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 139011250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).