N-(1,3-benzodioxol-5-yl)-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide

C19H16FN3O4 — CID 45283989

IUPACN-(1,3-benzodioxol-5-yl)-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide
SMILESCCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C19H16FN3O4/c1-2-25-17-10-23(14-6-3-12(20)4-7-14)22-18(17)19(24)21-13-5-8-15-16(9-13)27-11-26-15/h3-10H,2,11H2,1H3,(H,21,24)
InChIKeySAYHRZREBKBFOZ-UHFFFAOYSA-N
MW369.35 g/mol
LogP3.39
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide

N-(1,3-benzodioxol-5-yl)-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide (PubChem CID 45283989) has the molecular formula C19H16FN3O4 and a molecular weight of 369.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide
PubChem CID45283989
Molecular FormulaC19H16FN3O4
Molecular Weight369.35 g/mol
Exact Mass369.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide
SMILESCCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C19H16FN3O4/c1-2-25-17-10-23(14-6-3-12(20)4-7-14)22-18(17)19(24)21-13-5-8-15-16(9-13)27-11-26-15/h3-10H,2,11H2,1H3,(H,21,24)
InChIKeySAYHRZREBKBFOZ-UHFFFAOYSA-N
XLogP3.39
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-propoxypyrazole-3-carboxamide
CID 98393412
N-[2-(dimethylamino)ethyl]-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 42109714
4-ethoxy-1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]pyrazole-3-carboxamide
CID 42109745
4-ethoxy-1-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 30851412
N-(1,3-benzodioxol-5-yl)-5-ethoxy-1-methyl-4-oxopyridine-2-carboxamide
CID 30859004
N-[6-(dimethylamino)-3-pyridinyl]-4-ethoxy-1-phenylpyrazole-3-carboxamide
CID 98407291
N-(1,3-benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 25398478
(2S)-N-(1,3-benzodioxol-5-yl)-2-(2-ethoxy-4-fluoroanilino)propanamide
CID 94599199
N-(1,3-benzodioxol-5-yl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide
CID 109268567
N-(1,3-benzodioxol-5-yl)-3-(2-ethoxyphenoxy)propanamide
CID 2082414
[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 2-ethoxybenzoate
CID 8606682
N-(1,3-benzodioxol-5-yl)-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189807

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide (CID 45283989) is N-(1,3-benzodioxol-5-yl)-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide is CCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The InChIKey is SAYHRZREBKBFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O4/c1-2-25-17-10-23(14-6-3-12(20)4-7-14)22-18(17)19(24)21-13-5-8-15-16(9-13)27-11-26-15/h3-10H,2,11H2,1H3,(H,21,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide has a molecular weight of 369.35 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 45283989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).