2-propyl-N-(3-thiophen-2-ylpropyl)pyrazole-3-carboxamide

C14H19N3OS — CID 171132785

IUPAC2-propyl-N-(3-thiophen-2-ylpropyl)pyrazole-3-carboxamide
SMILESCCCn1nccc1C(=O)NCCCc1cccs1
InChIInChI=1S/C14H19N3OS/c1-2-10-17-13(7-9-16-17)14(18)15-8-3-5-12-6-4-11-19-12/h4,6-7,9,11H,2-3,5,8,10H2,1H3,(H,15,18)
InChIKeyTVDRWSJGDQOTDM-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.72
Rot. Bonds7

About 2-propyl-N-(3-thiophen-2-ylpropyl)pyrazole-3-carboxamide

2-propyl-N-(3-thiophen-2-ylpropyl)pyrazole-3-carboxamide (PubChem CID 171132785) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-propyl-N-(3-thiophen-2-ylpropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-propyl-N-(3-thiophen-2-ylpropyl)pyrazole-3-carboxamide
PubChem CID171132785
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name2-propyl-N-(3-thiophen-2-ylpropyl)pyrazole-3-carboxamide
SMILESCCCn1nccc1C(=O)NCCCc1cccs1
InChIInChI=1S/C14H19N3OS/c1-2-10-17-13(7-9-16-17)14(18)15-8-3-5-12-6-4-11-19-12/h4,6-7,9,11H,2-3,5,8,10H2,1H3,(H,15,18)
InChIKeyTVDRWSJGDQOTDM-UHFFFAOYSA-N
XLogP2.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chloro-1-propylpyrazol-5-yl)-4-thiophen-2-ylbutan-1-one
CID 105130983
2-propyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-3-carboxamide
CID 91947366
N-hexyl-4-thiophen-2-ylbutanamide
CID 134055852
N-methyl-1-(2-propylpyrazol-3-yl)-4-thiophen-2-ylbutan-1-amine
CID 105148145
N-phenyl-2-propylpyrazole-3-carboxamide
CID 39891941
1-methyl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide
CID 45497207
N-(2-propylpyrazol-3-yl)thiophene-2-carboxamide
CID 38995701
N-[(1-ethylpyrazol-4-yl)methyl]-2-propylpyrazole-3-carboxamide
CID 35535097
2-propylpyrazole-3-carboxylic acid
CID 7017775
5-oxo-N-(3-thiophen-2-ylpropyl)hexanamide
CID 144920925
4-(tetrazol-1-yl)-N-(3-thiophen-2-ylpropyl)benzamide
CID 171132793
2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazole-3-carboxamide
CID 110467157

Frequently Asked Questions

What is the IUPAC name of 2-propyl-N-(3-thiophen-2-ylpropyl)pyrazole-3-carboxamide?
The IUPAC name of 2-propyl-N-(3-thiophen-2-ylpropyl)pyrazole-3-carboxamide (CID 171132785) is 2-propyl-N-(3-thiophen-2-ylpropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-propyl-N-(3-thiophen-2-ylpropyl)pyrazole-3-carboxamide?
The canonical SMILES for 2-propyl-N-(3-thiophen-2-ylpropyl)pyrazole-3-carboxamide is CCCn1nccc1C(=O)NCCCc1cccs1.
What is the InChIKey of 2-propyl-N-(3-thiophen-2-ylpropyl)pyrazole-3-carboxamide?
The InChIKey is TVDRWSJGDQOTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-2-10-17-13(7-9-16-17)14(18)15-8-3-5-12-6-4-11-19-12/h4,6-7,9,11H,2-3,5,8,10H2,1H3,(H,15,18).
What are the key properties of 2-propyl-N-(3-thiophen-2-ylpropyl)pyrazole-3-carboxamide?
2-propyl-N-(3-thiophen-2-ylpropyl)pyrazole-3-carboxamide has a molecular weight of 277.39 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-N-(3-thiophen-2-ylpropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 171132785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).