N-ethyl-5-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-1H-pyrazole-3-carboxamide

C14H19N3O3 — CID 111596083

IUPACN-ethyl-5-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C14H19N3O3/c1-4-17(9-14(2,3)19)13(18)11-8-10(15-16-11)12-6-5-7-20-12/h5-8,19H,4,9H2,1-3H3,(H,15,16)
InChIKeyCXUYSPYORZBDOI-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.90
Rot. Bonds5

About N-ethyl-5-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-1H-pyrazole-3-carboxamide

N-ethyl-5-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-1H-pyrazole-3-carboxamide (PubChem CID 111596083) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-ethyl-5-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-1H-pyrazole-3-carboxamide
PubChem CID111596083
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-ethyl-5-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C14H19N3O3/c1-4-17(9-14(2,3)19)13(18)11-8-10(15-16-11)12-6-5-7-20-12/h5-8,19H,4,9H2,1-3H3,(H,15,16)
InChIKeyCXUYSPYORZBDOI-UHFFFAOYSA-N
XLogP1.90
TPSA82.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(furan-2-yl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
CID 86869419
N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 111596679
N-benzyl-5-(furan-2-yl)-N-(furan-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 37427411
N-tert-butyl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 6626158
5-(furan-2-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-pyrazole-3-carboxamide
CID 109380983
N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 111596654
5-(furan-2-yl)-N-pentyl-1H-pyrazole-3-carboxamide
CID 25348232
5-(furan-2-yl)-N-prop-2-ynyl-1H-pyrazole-3-carboxamide
CID 25353049
5-(furan-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)-1H-pyrazole-3-carboxamide
CID 111485372
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-(2-hydroxy-2-methylpropyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 79291054

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-ethyl-5-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-1H-pyrazole-3-carboxamide (CID 111596083) is N-ethyl-5-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-ethyl-5-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-ethyl-5-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-1H-pyrazole-3-carboxamide is CCN(CC(C)(C)O)C(=O)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of N-ethyl-5-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-1H-pyrazole-3-carboxamide?
The InChIKey is CXUYSPYORZBDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-4-17(9-14(2,3)19)13(18)11-8-10(15-16-11)12-6-5-7-20-12/h5-8,19H,4,9H2,1-3H3,(H,15,16).
What are the key properties of N-ethyl-5-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-1H-pyrazole-3-carboxamide?
N-ethyl-5-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-1H-pyrazole-3-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 111596083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).