5-(furan-2-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-pyrazole-3-carboxamide

C16H23N3O3 — CID 109380983

IUPAC5-(furan-2-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C16H23N3O3/c1-10(2)14(20)16(3,4)9-17-15(21)12-8-11(18-19-12)13-6-5-7-22-13/h5-8,10,14,20H,9H2,1-4H3,(H,17,21)(H,18,19)
InChIKeyLBEGZAODEFHJSC-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.44
Rot. Bonds6

About 5-(furan-2-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-pyrazole-3-carboxamide

5-(furan-2-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-pyrazole-3-carboxamide (PubChem CID 109380983) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-pyrazole-3-carboxamide
PubChem CID109380983
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name5-(furan-2-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C16H23N3O3/c1-10(2)14(20)16(3,4)9-17-15(21)12-8-11(18-19-12)13-6-5-7-22-13/h5-8,10,14,20H,9H2,1-4H3,(H,17,21)(H,18,19)
InChIKeyLBEGZAODEFHJSC-UHFFFAOYSA-N
XLogP2.44
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(furan-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)-1H-pyrazole-3-carboxamide
CID 111485372
N-(3-aminobutyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 119498062
N-tert-butyl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 6626158
5-(furan-2-yl)-N-prop-2-ynyl-1H-pyrazole-3-carboxamide
CID 25353049
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-thiophen-3-ylpropyl)-1H-pyrazole-3-carboxamide
CID 111452029
N-butan-2-yl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 19513917
5-(furan-2-yl)-N-[2-(methylamino)ethyl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 119502872
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
N-(1-amino-2,4-dimethylpentan-2-yl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 119599382
5-(furan-2-yl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 35555970

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-pyrazole-3-carboxamide (CID 109380983) is 5-(furan-2-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-pyrazole-3-carboxamide is CC(C)C(O)C(C)(C)CNC(=O)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of 5-(furan-2-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-pyrazole-3-carboxamide?
The InChIKey is LBEGZAODEFHJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-10(2)14(20)16(3,4)9-17-15(21)12-8-11(18-19-12)13-6-5-7-22-13/h5-8,10,14,20H,9H2,1-4H3,(H,17,21)(H,18,19).
What are the key properties of 5-(furan-2-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-pyrazole-3-carboxamide?
5-(furan-2-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-pyrazole-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 2.44, 6 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-(3-hydroxy-2,2,4-trimethylpentyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 109380983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).