N-[2-(ethylamino)-2-oxoethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide

C14H15FN4O2 — CID 55650471

IUPACN-[2-(ethylamino)-2-oxoethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
SMILESCCNC(=O)CNC(=O)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H15FN4O2/c1-2-16-13(20)9-17-14(21)12-7-8-19(18-12)11-5-3-10(15)4-6-11/h3-8H,2,9H2,1H3,(H,16,20)(H,17,21)
InChIKeyAKAIQWLIVIRZOO-UHFFFAOYSA-N
MW290.30 g/mol
LogP0.88
Rot. Bonds5

About N-[2-(ethylamino)-2-oxoethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide

N-[2-(ethylamino)-2-oxoethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide (PubChem CID 55650471) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is N-[2-(ethylamino)-2-oxoethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(ethylamino)-2-oxoethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
PubChem CID55650471
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC NameN-[2-(ethylamino)-2-oxoethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
SMILESCCNC(=O)CNC(=O)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H15FN4O2/c1-2-16-13(20)9-17-14(21)12-7-8-19(18-12)11-5-3-10(15)4-6-11/h3-8H,2,9H2,1H3,(H,16,20)(H,17,21)
InChIKeyAKAIQWLIVIRZOO-UHFFFAOYSA-N
XLogP0.88
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidopropyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38047231
1-(4-fluorophenyl)-N-[2-(2-hydroxyethyl)pentyl]pyrazole-3-carboxamide
CID 111662239
N-[2-(ethylamino)-2-oxoethyl]-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 18145782
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38827016
N-[2-(ethylamino)-2-oxoethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 86997975
N-[4-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38825065
methyl 2-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-3-methylpentanoate
CID 78868120
methyl 2-[(1-phenylpyrazole-3-carbonyl)amino]acetate
CID 38021237
tert-butyl N-[3-[2-[1-(4-fluorophenyl)pyrazole-3-carbonyl]hydrazinyl]-3-oxopropyl]carbamate
CID 75452074
N-(1-aminohexan-2-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;hydrochloride
CID 119665097
[2-(ethylamino)-2-oxoethyl] 1-(4-aminophenyl)pyrazole-3-carboxylate
CID 61314891
N-(3-acetamidophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38764433

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide (CID 55650471) is N-[2-(ethylamino)-2-oxoethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(ethylamino)-2-oxoethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(ethylamino)-2-oxoethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide is CCNC(=O)CNC(=O)c1ccn(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[2-(ethylamino)-2-oxoethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The InChIKey is AKAIQWLIVIRZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c1-2-16-13(20)9-17-14(21)12-7-8-19(18-12)11-5-3-10(15)4-6-11/h3-8H,2,9H2,1H3,(H,16,20)(H,17,21).
What are the key properties of N-[2-(ethylamino)-2-oxoethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide?
N-[2-(ethylamino)-2-oxoethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide has a molecular weight of 290.30 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)-2-oxoethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 55650471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).