N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]thiophene-2-carboxamide

C12H13N3O2S — CID 97428073

IUPACN-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]thiophene-2-carboxamide
SMILESO=C(Nc1cnn([C@@H]2CCOC2)c1)c1cccs1
InChIInChI=1S/C12H13N3O2S/c16-12(11-2-1-5-18-11)14-9-6-13-15(7-9)10-3-4-17-8-10/h1-2,5-7,10H,3-4,8H2,(H,14,16)/t10-/m1/s1
InChIKeySYYJPJNVDFCLSD-SNVBAGLBSA-N
MW263.32 g/mol
LogP2.16
Rot. Bonds3

About N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]thiophene-2-carboxamide

N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]thiophene-2-carboxamide (PubChem CID 97428073) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]thiophene-2-carboxamide
PubChem CID97428073
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC NameN-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]thiophene-2-carboxamide
SMILESO=C(Nc1cnn([C@@H]2CCOC2)c1)c1cccs1
InChIInChI=1S/C12H13N3O2S/c16-12(11-2-1-5-18-11)14-9-6-13-15(7-9)10-3-4-17-8-10/h1-2,5-7,10H,3-4,8H2,(H,14,16)/t10-/m1/s1
InChIKeySYYJPJNVDFCLSD-SNVBAGLBSA-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-(oxan-4-yl)pyrazol-4-yl]thiophene-2-carboxamide
CID 71810204
5-chloro-N-[1-(oxolan-3-yl)pyrazol-4-yl]thiophene-2-carboxamide
CID 71810129
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]furan-2-carboxamide
CID 97428071
N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-4-pyrrol-1-ylbenzamide
CID 97427952
3-methyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]benzamide
CID 97428025
methyl 4-[[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]carbamoyl]benzoate
CID 97427996
(3R)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]oxolane-3-carboxamide
CID 97428174
2-chloro-6-fluoro-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzamide
CID 97428040
5-(furan-2-yl)-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 97427973
N-[1-(oxolan-3-yl)pyrazol-4-yl]cyclobutanecarboxamide
CID 71810120
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]cyclopentanecarboxamide
CID 97428015
2,4-dimethyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1,3-thiazole-5-carboxamide
CID 97428084

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]thiophene-2-carboxamide (CID 97428073) is N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]thiophene-2-carboxamide is O=C(Nc1cnn([C@@H]2CCOC2)c1)c1cccs1.
What is the InChIKey of N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]thiophene-2-carboxamide?
The InChIKey is SYYJPJNVDFCLSD-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H13N3O2S/c16-12(11-2-1-5-18-11)14-9-6-13-15(7-9)10-3-4-17-8-10/h1-2,5-7,10H,3-4,8H2,(H,14,16)/t10-/m1/s1.
What are the key properties of N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]thiophene-2-carboxamide?
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]thiophene-2-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-[(3R)-oxolan-3-yl]pyrazol-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 97428073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).