N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]thiophene-3-carboxamide

C12H13N3O2S — CID 97428110

IUPACN-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]thiophene-3-carboxamide
SMILESO=C(Nc1cnn([C@H]2CCOC2)c1)c1ccsc1
InChIInChI=1S/C12H13N3O2S/c16-12(9-2-4-18-8-9)14-10-5-13-15(6-10)11-1-3-17-7-11/h2,4-6,8,11H,1,3,7H2,(H,14,16)/t11-/m0/s1
InChIKeyYKNICUQSMBGDME-NSHDSACASA-N
MW263.32 g/mol
LogP2.16
Rot. Bonds3

About N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]thiophene-3-carboxamide

N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]thiophene-3-carboxamide (PubChem CID 97428110) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]thiophene-3-carboxamide
PubChem CID97428110
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC NameN-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]thiophene-3-carboxamide
SMILESO=C(Nc1cnn([C@H]2CCOC2)c1)c1ccsc1
InChIInChI=1S/C12H13N3O2S/c16-12(9-2-4-18-8-9)14-10-5-13-15(6-10)11-1-3-17-7-11/h2,4-6,8,11H,1,3,7H2,(H,14,16)/t11-/m0/s1
InChIKeyYKNICUQSMBGDME-NSHDSACASA-N
XLogP2.16
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{1-[2-(1,2-oxazinan-2-yl)-2-oxoethyl]-1H-pyrazol-4-yl}-3-thiophenecarboxamide
CID 26278203
N-(1-pyrazol-1-ylpropan-2-yl)thiophene-3-carboxamide
CID 43074999
N-(1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-pyrazol-4-yl)thiophene-3-carboxamide
CID 90622221
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]thiophene-3-carboxamide
CID 60322788
N-[5-methyl-1-(oxolan-3-yl)pyrazol-4-yl]-4-(trifluoromethyl)thiophene-3-carboxamide
CID 137886314
5-bromo-N-(1-methyl-1H-pyrazol-4-yl)thiophene-3-carboxamide
CID 32609166
5-bromo-N-(1-ethylpyrazol-4-yl)thiophene-3-carboxamide
CID 35280212
N-[(2S)-1-pyrazol-1-ylpropan-2-yl]thiophene-3-carboxamide
CID 38610685
N-[(2R)-1-pyrazol-1-ylpropan-2-yl]thiophene-3-carboxamide
CID 38610687
N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide
CID 43074245
1-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)pyrazol-4-amine
CID 43728987
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-bromothiophene-3-carboxamide
CID 47213341

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]thiophene-3-carboxamide?
The IUPAC name of N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]thiophene-3-carboxamide (CID 97428110) is N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]thiophene-3-carboxamide is O=C(Nc1cnn([C@H]2CCOC2)c1)c1ccsc1.
What is the InChIKey of N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]thiophene-3-carboxamide?
The InChIKey is YKNICUQSMBGDME-NSHDSACASA-N. The full InChI is InChI=1S/C12H13N3O2S/c16-12(9-2-4-18-8-9)14-10-5-13-15(6-10)11-1-3-17-7-11/h2,4-6,8,11H,1,3,7H2,(H,14,16)/t11-/m0/s1.
What are the key properties of N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]thiophene-3-carboxamide?
N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]thiophene-3-carboxamide has a molecular weight of 263.32 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]thiophene-3-carboxamide is sourced from PubChem (CID 97428110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).