N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]thiophene-3-carboxamide

C17H17N3OS2 — CID 72718613

IUPACN-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]thiophene-3-carboxamide
SMILESO=C(NCCn1nc(-c2cccs2)cc1C1CC1)c1ccsc1
InChIInChI=1S/C17H17N3OS2/c21-17(13-5-9-22-11-13)18-6-7-20-15(12-3-4-12)10-14(19-20)16-2-1-8-23-16/h1-2,5,8-12H,3-4,6-7H2,(H,18,21)
InChIKeyAOYUQBQNMJTRTC-UHFFFAOYSA-N
MW343.48 g/mol
LogP3.98
Rot. Bonds6

About N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]thiophene-3-carboxamide

N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]thiophene-3-carboxamide (PubChem CID 72718613) has the molecular formula C17H17N3OS2 and a molecular weight of 343.48 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]thiophene-3-carboxamide
PubChem CID72718613
Molecular FormulaC17H17N3OS2
Molecular Weight343.48 g/mol
Exact Mass343.08
IUPAC NameN-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]thiophene-3-carboxamide
SMILESO=C(NCCn1nc(-c2cccs2)cc1C1CC1)c1ccsc1
InChIInChI=1S/C17H17N3OS2/c21-17(13-5-9-22-11-13)18-6-7-20-15(12-3-4-12)10-14(19-20)16-2-1-8-23-16/h1-2,5,8-12H,3-4,6-7H2,(H,18,21)
InChIKeyAOYUQBQNMJTRTC-UHFFFAOYSA-N
XLogP3.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
CID 72718634
5-chloro-N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide
CID 91629207
N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-methylimidazole-4-sulfonamide
CID 72718654
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide
CID 121169632
N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 86266307
3-fluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide
CID 16905666
(E)-N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 121139199
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]quinoxaline-6-carboxamide
CID 121169831
N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 72718644
3-methoxy-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide
CID 16905657
N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 72718645
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-phenylacetamide
CID 121169714

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]thiophene-3-carboxamide (CID 72718613) is N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]thiophene-3-carboxamide is O=C(NCCn1nc(-c2cccs2)cc1C1CC1)c1ccsc1.
What is the InChIKey of N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]thiophene-3-carboxamide?
The InChIKey is AOYUQBQNMJTRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS2/c21-17(13-5-9-22-11-13)18-6-7-20-15(12-3-4-12)10-14(19-20)16-2-1-8-23-16/h1-2,5,8-12H,3-4,6-7H2,(H,18,21).
What are the key properties of N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]thiophene-3-carboxamide?
N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]thiophene-3-carboxamide has a molecular weight of 343.48 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 72718613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).