5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide

C14H16N4O2S — CID 91628866

IUPAC5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide
SMILESNC(=O)c1cc(C2CCN(C(=O)c3cccs3)CC2)[nH]n1
InChIInChI=1S/C14H16N4O2S/c15-13(19)11-8-10(16-17-11)9-3-5-18(6-4-9)14(20)12-2-1-7-21-12/h1-2,7-9H,3-6H2,(H2,15,19)(H,16,17)
InChIKeyDGRRAMGEOABWJB-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.59
Rot. Bonds3

About 5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide

5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide (PubChem CID 91628866) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide
PubChem CID91628866
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide
SMILESNC(=O)c1cc(C2CCN(C(=O)c3cccs3)CC2)[nH]n1
InChIInChI=1S/C14H16N4O2S/c15-13(19)11-8-10(16-17-11)9-3-5-18(6-4-9)14(20)12-2-1-7-21-12/h1-2,7-9H,3-6H2,(H2,15,19)(H,16,17)
InChIKeyDGRRAMGEOABWJB-UHFFFAOYSA-N
XLogP1.59
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-cyclopropyl-1H-pyrazol-3-yl)-[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methanone
CID 95209630
1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 750217
[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 84580369
[4-(1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 110289749
5-[1-(4-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide
CID 91628864
[4-(4-hydroxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 47142241
[4-(aminomethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 28706738
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
2-[(3R)-4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]-1-thiophen-2-ylethanone
CID 124608812
5-cyclopropyl-N-(1-thiophen-2-ylethylideneamino)-1H-pyrazole-3-carboxamide
CID 930299
N'-[3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide
CID 15951336

Frequently Asked Questions

What is the IUPAC name of 5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide (CID 91628866) is 5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide is NC(=O)c1cc(C2CCN(C(=O)c3cccs3)CC2)[nH]n1.
What is the InChIKey of 5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is DGRRAMGEOABWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c15-13(19)11-8-10(16-17-11)9-3-5-18(6-4-9)14(20)12-2-1-7-21-12/h1-2,7-9H,3-6H2,(H2,15,19)(H,16,17).
What are the key properties of 5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide?
5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 91628866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).