5-(furan-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)-1H-pyrazole-3-carboxamide

C16H23N3O3 — CID 111485372

IUPAC5-(furan-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)CCC(C)(O)CNC(=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C16H23N3O3/c1-11(2)6-7-16(3,21)10-17-15(20)13-9-12(18-19-13)14-5-4-8-22-14/h4-5,8-9,11,21H,6-7,10H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyHPKQWNKKKIOMBA-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.59
Rot. Bonds7

About 5-(furan-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)-1H-pyrazole-3-carboxamide

5-(furan-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)-1H-pyrazole-3-carboxamide (PubChem CID 111485372) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)-1H-pyrazole-3-carboxamide
PubChem CID111485372
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name5-(furan-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)CCC(C)(O)CNC(=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C16H23N3O3/c1-11(2)6-7-16(3,21)10-17-15(20)13-9-12(18-19-13)14-5-4-8-22-14/h4-5,8-9,11,21H,6-7,10H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyHPKQWNKKKIOMBA-UHFFFAOYSA-N
XLogP2.59
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(furan-2-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-pyrazole-3-carboxamide
CID 109380983
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5-(furan-2-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-1H-pyrazole-3-carboxamide
CID 111452029
N-tert-butyl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
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5-(furan-2-yl)-N-prop-2-ynyl-1H-pyrazole-3-carboxamide
CID 25353049
N-(1-amino-2,4-dimethylpentan-2-yl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 119599382
5-(furan-2-yl)-N-[2-(methylamino)ethyl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 119502872
N-butan-2-yl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 19513917
5-(furan-2-yl)-N-(3-hydroxypropyl)-1H-pyrazole-3-carboxamide
CID 78854308
5-(furan-2-yl)-N-pentyl-1H-pyrazole-3-carboxamide
CID 25348232
5-(furan-2-yl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-3-carboxamide
CID 124848185
5-(furan-2-yl)-N-(2-hydroxy-2-methylpentyl)-1,2-oxazole-3-carboxamide
CID 103712832

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)-1H-pyrazole-3-carboxamide (CID 111485372) is 5-(furan-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)-1H-pyrazole-3-carboxamide is CC(C)CCC(C)(O)CNC(=O)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of 5-(furan-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)-1H-pyrazole-3-carboxamide?
The InChIKey is HPKQWNKKKIOMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11(2)6-7-16(3,21)10-17-15(20)13-9-12(18-19-13)14-5-4-8-22-14/h4-5,8-9,11,21H,6-7,10H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 5-(furan-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)-1H-pyrazole-3-carboxamide?
5-(furan-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)-1H-pyrazole-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 2.59, 7 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-(2-hydroxy-2,5-dimethylhexyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 111485372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).