N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]cyclobutanecarboxamide

C13H15N3OS — CID 8911676

IUPACN-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]cyclobutanecarboxamide
SMILESO=C(Nc1ccnn1Cc1cccs1)C1CCC1
InChIInChI=1S/C13H15N3OS/c17-13(10-3-1-4-10)15-12-6-7-14-16(12)9-11-5-2-8-18-11/h2,5-8,10H,1,3-4,9H2,(H,15,17)
InChIKeyQUOVOAUBATZSRX-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.73
Rot. Bonds4

About N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]cyclobutanecarboxamide

N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]cyclobutanecarboxamide (PubChem CID 8911676) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]cyclobutanecarboxamide
PubChem CID8911676
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]cyclobutanecarboxamide
SMILESO=C(Nc1ccnn1Cc1cccs1)C1CCC1
InChIInChI=1S/C13H15N3OS/c17-13(10-3-1-4-10)15-12-6-7-14-16(12)9-11-5-2-8-18-11/h2,5-8,10H,1,3-4,9H2,(H,15,17)
InChIKeyQUOVOAUBATZSRX-UHFFFAOYSA-N
XLogP2.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]cyclobutanecarboxamide
CID 38996984
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclobutanecarboxamide
CID 17406614
2-amino-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 121209392
N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]-9H-xanthene-9-carboxamide
CID 8911670
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide
CID 18193306
3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide
CID 8911831
(3S)-1-[2-oxo-2-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]ethyl]pyrrolidine-3-carboxamide
CID 94163023
4-methyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 8911642
2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 9118752
2-(4-chlorophenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 8911690
4-nitro-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 8911576
4-methoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 8911601

Frequently Asked Questions

What is the IUPAC name of N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]cyclobutanecarboxamide?
The IUPAC name of N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]cyclobutanecarboxamide (CID 8911676) is N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]cyclobutanecarboxamide is O=C(Nc1ccnn1Cc1cccs1)C1CCC1.
What is the InChIKey of N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]cyclobutanecarboxamide?
The InChIKey is QUOVOAUBATZSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c17-13(10-3-1-4-10)15-12-6-7-14-16(12)9-11-5-2-8-18-11/h2,5-8,10H,1,3-4,9H2,(H,15,17).
What are the key properties of N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]cyclobutanecarboxamide?
N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]cyclobutanecarboxamide has a molecular weight of 261.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]cyclobutanecarboxamide is sourced from PubChem (CID 8911676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).