5-(furan-2-yl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-3-carboxamide

C13H17N3O3 — CID 124848185

IUPAC5-(furan-2-yl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-3-carboxamide
SMILESCC(C)[C@H](CO)NC(=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C13H17N3O3/c1-8(2)11(7-17)14-13(18)10-6-9(15-16-10)12-4-3-5-19-12/h3-6,8,11,17H,7H2,1-2H3,(H,14,18)(H,15,16)/t11-/m0/s1
InChIKeyMJANRRNTRCPJSN-NSHDSACASA-N
MW263.30 g/mol
LogP1.42
Rot. Bonds5

About 5-(furan-2-yl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-3-carboxamide

5-(furan-2-yl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-3-carboxamide (PubChem CID 124848185) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-3-carboxamide
PubChem CID124848185
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name5-(furan-2-yl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-3-carboxamide
SMILESCC(C)[C@H](CO)NC(=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C13H17N3O3/c1-8(2)11(7-17)14-13(18)10-6-9(15-16-10)12-4-3-5-19-12/h3-6,8,11,17H,7H2,1-2H3,(H,14,18)(H,15,16)/t11-/m0/s1
InChIKeyMJANRRNTRCPJSN-NSHDSACASA-N
XLogP1.42
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-3-carboxamide (CID 124848185) is 5-(furan-2-yl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-3-carboxamide is CC(C)[C@H](CO)NC(=O)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of 5-(furan-2-yl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is MJANRRNTRCPJSN-NSHDSACASA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8(2)11(7-17)14-13(18)10-6-9(15-16-10)12-4-3-5-19-12/h3-6,8,11,17H,7H2,1-2H3,(H,14,18)(H,15,16)/t11-/m0/s1.
What are the key properties of 5-(furan-2-yl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-3-carboxamide?
5-(furan-2-yl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 124848185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).