N-[2-(3-pyrazol-1-ylpropylcarbamoyl)phenyl]thiophene-3-carboxamide

C18H18N4O2S — CID 55599946

IUPACN-[2-(3-pyrazol-1-ylpropylcarbamoyl)phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NCCCn1cccn1)c1ccsc1
InChIInChI=1S/C18H18N4O2S/c23-17(14-7-12-25-13-14)21-16-6-2-1-5-15(16)18(24)19-8-3-10-22-11-4-9-20-22/h1-2,4-7,9,11-13H,3,8,10H2,(H,19,24)(H,21,23)
InChIKeyLZAPRRFSPMKLAY-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.02
Rot. Bonds7

About N-[2-(3-pyrazol-1-ylpropylcarbamoyl)phenyl]thiophene-3-carboxamide

N-[2-(3-pyrazol-1-ylpropylcarbamoyl)phenyl]thiophene-3-carboxamide (PubChem CID 55599946) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-[2-(3-pyrazol-1-ylpropylcarbamoyl)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-pyrazol-1-ylpropylcarbamoyl)phenyl]thiophene-3-carboxamide
PubChem CID55599946
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-[2-(3-pyrazol-1-ylpropylcarbamoyl)phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NCCCn1cccn1)c1ccsc1
InChIInChI=1S/C18H18N4O2S/c23-17(14-7-12-25-13-14)21-16-6-2-1-5-15(16)18(24)19-8-3-10-22-11-4-9-20-22/h1-2,4-7,9,11-13H,3,8,10H2,(H,19,24)(H,21,23)
InChIKeyLZAPRRFSPMKLAY-UHFFFAOYSA-N
XLogP3.02
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[3-(2-methylbenzimidazol-1-yl)propylcarbamoyl]phenyl]thiophene-3-carboxamide
CID 55523213
N-(10-pyrazol-1-yldecyl)benzamide
CID 14662167
N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 35285072
2-[2-(methylamino)ethyl]-N-(3-pyrazol-1-ylpropyl)benzamide
CID 104548263
N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylcarbamoyl]phenyl]thiophene-3-carboxamide
CID 55678936
N-[2-[2-(4-chlorophenoxy)ethylcarbamoyl]phenyl]thiophene-3-carboxamide
CID 55455576
N-[2-[[4-(phenylmethoxymethyl)phenyl]methylcarbamoyl]phenyl]thiophene-3-carboxamide
CID 60553572
N-[2-[[2-(diethylamino)-2-phenylethyl]carbamoyl]phenyl]thiophene-3-carboxamide
CID 55522622
2-amino-N-(2-pyrazol-1-ylethyl)benzamide
CID 61459954
2-bromo-5-fluoro-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393425
N-[2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenyl]thiophene-3-carboxamide
CID 55455739
(2R)-N-(3-pyrazol-1-ylpropyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94030715

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-pyrazol-1-ylpropylcarbamoyl)phenyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-(3-pyrazol-1-ylpropylcarbamoyl)phenyl]thiophene-3-carboxamide (CID 55599946) is N-[2-(3-pyrazol-1-ylpropylcarbamoyl)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-(3-pyrazol-1-ylpropylcarbamoyl)phenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-(3-pyrazol-1-ylpropylcarbamoyl)phenyl]thiophene-3-carboxamide is O=C(Nc1ccccc1C(=O)NCCCn1cccn1)c1ccsc1.
What is the InChIKey of N-[2-(3-pyrazol-1-ylpropylcarbamoyl)phenyl]thiophene-3-carboxamide?
The InChIKey is LZAPRRFSPMKLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c23-17(14-7-12-25-13-14)21-16-6-2-1-5-15(16)18(24)19-8-3-10-22-11-4-9-20-22/h1-2,4-7,9,11-13H,3,8,10H2,(H,19,24)(H,21,23).
What are the key properties of N-[2-(3-pyrazol-1-ylpropylcarbamoyl)phenyl]thiophene-3-carboxamide?
N-[2-(3-pyrazol-1-ylpropylcarbamoyl)phenyl]thiophene-3-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-pyrazol-1-ylpropylcarbamoyl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 55599946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).