5-chloro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide

C13H14ClN3O2S — CID 47327915

IUPAC5-chloro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
SMILESO=C(Nc1cnn(CC2CCCO2)c1)c1ccc(Cl)s1
InChIInChI=1S/C13H14ClN3O2S/c14-12-4-3-11(20-12)13(18)16-9-6-15-17(7-9)8-10-2-1-5-19-10/h3-4,6-7,10H,1-2,5,8H2,(H,16,18)
InChIKeyQJAOEFAOCKIZHQ-UHFFFAOYSA-N
MW311.79 g/mol
LogP3.03
Rot. Bonds4

About 5-chloro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide

5-chloro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide (PubChem CID 47327915) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 5-chloro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
PubChem CID47327915
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name5-chloro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
SMILESO=C(Nc1cnn(CC2CCCO2)c1)c1ccc(Cl)s1
InChIInChI=1S/C13H14ClN3O2S/c14-12-4-3-11(20-12)13(18)16-9-6-15-17(7-9)8-10-2-1-5-19-10/h3-4,6-7,10H,1-2,5,8H2,(H,16,18)
InChIKeyQJAOEFAOCKIZHQ-UHFFFAOYSA-N
XLogP3.03
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 60782178
4-chloro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145185
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-5,6,7,8-tetrahydroquinoline-2-carboxamide
CID 71911590
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide
CID 165126942
2-(3-chlorophenyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 60557435
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidine-4-carboxamide
CID 136553327
N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide
CID 129365474
4-[(carbamoylamino)methyl]-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 136578207
1-(dicyclopropylmethyl)-3-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
CID 96561422
3-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 136524086
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 121145260
3-(methoxymethyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 136521322

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide (CID 47327915) is 5-chloro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide is O=C(Nc1cnn(CC2CCCO2)c1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide?
The InChIKey is QJAOEFAOCKIZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c14-12-4-3-11(20-12)13(18)16-9-6-15-17(7-9)8-10-2-1-5-19-10/h3-4,6-7,10H,1-2,5,8H2,(H,16,18).
What are the key properties of 5-chloro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide?
5-chloro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide has a molecular weight of 311.79 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 47327915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).