2-(thietan-3-ylmethyl)pyrazole-3-carboxamide

C8H11N3OS — CID 139371051

IUPAC2-(thietan-3-ylmethyl)pyrazole-3-carboxamide
SMILESNC(=O)c1ccnn1CC1CSC1
InChIInChI=1S/C8H11N3OS/c9-8(12)7-1-2-10-11(7)3-6-4-13-5-6/h1-2,6H,3-5H2,(H2,9,12)
InChIKeyJAHOHFFNTYTXEB-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.34
Rot. Bonds3

About 2-(thietan-3-ylmethyl)pyrazole-3-carboxamide

2-(thietan-3-ylmethyl)pyrazole-3-carboxamide (PubChem CID 139371051) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is 2-(thietan-3-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(thietan-3-ylmethyl)pyrazole-3-carboxamide
PubChem CID139371051
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC Name2-(thietan-3-ylmethyl)pyrazole-3-carboxamide
SMILESNC(=O)c1ccnn1CC1CSC1
InChIInChI=1S/C8H11N3OS/c9-8(12)7-1-2-10-11(7)3-6-4-13-5-6/h1-2,6H,3-5H2,(H2,9,12)
InChIKeyJAHOHFFNTYTXEB-UHFFFAOYSA-N
XLogP0.34
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxan-4-ylmethyl)pyrazole-3-carboxamide
CID 90104813
2-(fluoromethyl)pyrazole-3-carboxamide
CID 141169291
3-(5-carbamoylpyrazol-1-yl)propanoic acid
CID 50896470
2-(pyrimidin-2-ylmethyl)pyrazole-3-carboxamide
CID 141015271
2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methyl]pyrazole-3-carboxamide
CID 140596113
2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]pyrazole-3-carboxamide
CID 99802787
2-(1,3-difluoropropan-2-yl)pyrazole-3-carboxamide
CID 151537253
1-[2-(cyclobutylmethyl)pyrazole-3-carbonyl]piperidine-4-carboxylic acid
CID 154741120
2-[[5-(trifluoromethyl)oxolan-3-yl]methyl]pyrazole-3-carboxylic acid
CID 175835374
2-(cyclopropylmethyl)-5-methylpyrazole-3-carboxamide
CID 161043600
2-[(2-bromo-6-fluorophenyl)methyl]pyrazole-3-carboxamide
CID 167865643
2-[[4,6-bis(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridazin-3-yl]methyl]pyrazole-3-carboxamide
CID 174238503

Frequently Asked Questions

What is the IUPAC name of 2-(thietan-3-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 2-(thietan-3-ylmethyl)pyrazole-3-carboxamide (CID 139371051) is 2-(thietan-3-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-(thietan-3-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 2-(thietan-3-ylmethyl)pyrazole-3-carboxamide is NC(=O)c1ccnn1CC1CSC1.
What is the InChIKey of 2-(thietan-3-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is JAHOHFFNTYTXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c9-8(12)7-1-2-10-11(7)3-6-4-13-5-6/h1-2,6H,3-5H2,(H2,9,12).
What are the key properties of 2-(thietan-3-ylmethyl)pyrazole-3-carboxamide?
2-(thietan-3-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 197.26 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thietan-3-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 139371051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).