N-(2-ethoxy-4-fluorophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide

C16H20FN3O2 — CID 87046319

IUPACN-(2-ethoxy-4-fluorophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCCOc1cc(F)ccc1NC(=O)c1cc(CC(C)C)[nH]n1
InChIInChI=1S/C16H20FN3O2/c1-4-22-15-8-11(17)5-6-13(15)18-16(21)14-9-12(19-20-14)7-10(2)3/h5-6,8-10H,4,7H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyIPZUQLWOQGIHMR-UHFFFAOYSA-N
MW305.35 g/mol
LogP3.40
Rot. Bonds6

About N-(2-ethoxy-4-fluorophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide

N-(2-ethoxy-4-fluorophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide (PubChem CID 87046319) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is N-(2-ethoxy-4-fluorophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxy-4-fluorophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
PubChem CID87046319
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC NameN-(2-ethoxy-4-fluorophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCCOc1cc(F)ccc1NC(=O)c1cc(CC(C)C)[nH]n1
InChIInChI=1S/C16H20FN3O2/c1-4-22-15-8-11(17)5-6-13(15)18-16(21)14-9-12(19-20-14)7-10(2)3/h5-6,8-10H,4,7H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyIPZUQLWOQGIHMR-UHFFFAOYSA-N
XLogP3.40
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-ethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55982116
methyl 6-[(2-ethoxy-4-fluorophenyl)carbamoyl]pyridine-3-carboxylate
CID 87006237
N-(5-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55738543
1-(2-ethoxy-4-fluorophenyl)-3-(3-methylbutyl)urea
CID 47237901
4-bromo-N-(2-ethoxy-4-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 47268272
N-[4-(difluoromethoxy)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55738892
N-(2-ethoxy-4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47251252
N-(4-chlorophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55741644
2-amino-N-(2-ethoxy-4-fluorophenyl)propanamide;hydrochloride
CID 119286702
3,5-dibromo-N-(2-ethoxy-4-fluorophenyl)benzamide
CID 107980262
N-(2-ethoxy-4-fluorophenyl)-2-fluoropyridine-4-carboxamide
CID 61294013
methyl 4-[(2-ethoxy-4-fluorophenyl)carbamoyl]benzoate
CID 87006117

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-4-fluorophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2-ethoxy-4-fluorophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide (CID 87046319) is N-(2-ethoxy-4-fluorophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-ethoxy-4-fluorophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2-ethoxy-4-fluorophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide is CCOc1cc(F)ccc1NC(=O)c1cc(CC(C)C)[nH]n1.
What is the InChIKey of N-(2-ethoxy-4-fluorophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The InChIKey is IPZUQLWOQGIHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-4-22-15-8-11(17)5-6-13(15)18-16(21)14-9-12(19-20-14)7-10(2)3/h5-6,8-10H,4,7H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of N-(2-ethoxy-4-fluorophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
N-(2-ethoxy-4-fluorophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide has a molecular weight of 305.35 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-4-fluorophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 87046319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).