N-[2-[2-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide

C17H21FN4O2 — CID 167956739

IUPACN-[2-[2-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)N(C)CCc2ccc(F)cc2)n(C)n1
InChIInChI=1S/C17H21FN4O2/c1-12-10-15(22(3)20-12)17(24)19-11-16(23)21(2)9-8-13-4-6-14(18)7-5-13/h4-7,10H,8-9,11H2,1-3H3,(H,19,24)
InChIKeyHEHDNXXYKHKNLY-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.30
Rot. Bonds6

About N-[2-[2-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide

N-[2-[2-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 167956739) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID167956739
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC NameN-[2-[2-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)N(C)CCc2ccc(F)cc2)n(C)n1
InChIInChI=1S/C17H21FN4O2/c1-12-10-15(22(3)20-12)17(24)19-11-16(23)21(2)9-8-13-4-6-14(18)7-5-13/h4-7,10H,8-9,11H2,1-3H3,(H,19,24)
InChIKeyHEHDNXXYKHKNLY-UHFFFAOYSA-N
XLogP1.30
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide
CID 112993682
N-[2-(4-hydroxyphenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 61357227
N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 115158335
3-[2-(4-fluorophenyl)ethyl-methylamino]-3-oxopropanoic acid
CID 115163578
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87023429
5-[(4-fluorophenyl)methylcarbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 4777142
N-[(4-bromophenyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide
CID 61057739
2,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrazole-3-carboxamide
CID 87024503
3-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 119297962
2-(3,4-difluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanone
CID 105124609
N-benzyl-N,2,5-trimethylpyrazole-3-carboxamide
CID 112513798
N-(2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685919

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide (CID 167956739) is N-[2-[2-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NCC(=O)N(C)CCc2ccc(F)cc2)n(C)n1.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is HEHDNXXYKHKNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-12-10-15(22(3)20-12)17(24)19-11-16(23)21(2)9-8-13-4-6-14(18)7-5-13/h4-7,10H,8-9,11H2,1-3H3,(H,19,24).
What are the key properties of N-[2-[2-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide?
N-[2-[2-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 332.38 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 167956739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).