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

C12H13N3O3 — CID 97428071

IUPACN-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]furan-2-carboxamide
SMILESO=C(Nc1cnn([C@@H]2CCOC2)c1)c1ccco1
InChIInChI=1S/C12H13N3O3/c16-12(11-2-1-4-18-11)14-9-6-13-15(7-9)10-3-5-17-8-10/h1-2,4,6-7,10H,3,5,8H2,(H,14,16)/t10-/m1/s1
InChIKeyYBXGXJSGTSSVOQ-SNVBAGLBSA-N
MW247.25 g/mol
LogP1.69
Rot. Bonds3

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

N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]furan-2-carboxamide (PubChem CID 97428071) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]furan-2-carboxamide
PubChem CID97428071
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC NameN-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]furan-2-carboxamide
SMILESO=C(Nc1cnn([C@@H]2CCOC2)c1)c1ccco1
InChIInChI=1S/C12H13N3O3/c16-12(11-2-1-4-18-11)14-9-6-13-15(7-9)10-3-5-17-8-10/h1-2,4,6-7,10H,3,5,8H2,(H,14,16)/t10-/m1/s1
InChIKeyYBXGXJSGTSSVOQ-SNVBAGLBSA-N
XLogP1.69
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(furan-2-yl)-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 97427973
2-chloro-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzamide
CID 71810085
3-methyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]benzamide
CID 97428025
2-benzylsulfanyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]acetamide
CID 97428055
(3R)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]oxolane-3-carboxamide
CID 97428174
5-chloro-N-[1-(oxolan-3-yl)pyrazol-4-yl]thiophene-2-carboxamide
CID 71810129
2-chloro-6-fluoro-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzamide
CID 97428040
6-oxo-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1H-pyridine-3-carboxamide
CID 97427968
6-oxo-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]-1H-pyridine-3-carboxamide
CID 97427967
2-cyclopropyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]acetamide
CID 97428161
2-methoxy-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]pyridine-3-carboxamide
CID 97428006
(E)-N-[1-(oxolan-3-yl)pyrazol-4-yl]-3-phenylprop-2-enamide
CID 71810092

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]furan-2-carboxamide (CID 97428071) is N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]furan-2-carboxamide is O=C(Nc1cnn([C@@H]2CCOC2)c1)c1ccco1.
What is the InChIKey of N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]furan-2-carboxamide?
The InChIKey is YBXGXJSGTSSVOQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H13N3O3/c16-12(11-2-1-4-18-11)14-9-6-13-15(7-9)10-3-5-17-8-10/h1-2,4,6-7,10H,3,5,8H2,(H,14,16)/t10-/m1/s1.
What are the key properties of N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]furan-2-carboxamide?
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]furan-2-carboxamide has a molecular weight of 247.25 g/mol, XLogP of 1.69, 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]furan-2-carboxamide is sourced from PubChem (CID 97428071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).