N-(3-acetylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide

C15H17N3O2 — CID 66120934

IUPACN-(3-acetylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2cccc(C(C)=O)c2)n(C)n1
InChIInChI=1S/C15H17N3O2/c1-4-12-9-14(18(3)17-12)15(20)16-13-7-5-6-11(8-13)10(2)19/h5-9H,4H2,1-3H3,(H,16,20)
InChIKeyXIPNAEWXAVNGDY-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.44
Rot. Bonds4

About N-(3-acetylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide

N-(3-acetylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 66120934) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID66120934
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(3-acetylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2cccc(C(C)=O)c2)n(C)n1
InChIInChI=1S/C15H17N3O2/c1-4-12-9-14(18(3)17-12)15(20)16-13-7-5-6-11(8-13)10(2)19/h5-9H,4H2,1-3H3,(H,16,20)
InChIKeyXIPNAEWXAVNGDY-UHFFFAOYSA-N
XLogP2.44
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-carbamothioylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119749
3-ethyl-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 77113197
N-(3-acetylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 61059268
3-ethyl-N-[3-(ethylaminomethyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 66121147
3-ethyl-N-[3-[(3-ethyl-1-methylpyrazole-5-carbonyl)-methylamino]phenyl]-1-methylpyrazole-5-carboxamide
CID 138030778
N-(3-acetylphenyl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide
CID 47137762
N-(2-aminophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119915
3-N,4-N-bis(3-acetylphenyl)-1-methylpyrazole-3,4-dicarboxamide
CID 29097609
N-(3-butanoylphenyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide
CID 10520273
3-ethyl-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazole-5-carboxamide
CID 66121931
3-chloro-2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]benzoic acid
CID 107046375
3-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]benzoic acid
CID 43350862

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide (CID 66120934) is N-(3-acetylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1cc(C(=O)Nc2cccc(C(C)=O)c2)n(C)n1.
What is the InChIKey of N-(3-acetylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is XIPNAEWXAVNGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-4-12-9-14(18(3)17-12)15(20)16-13-7-5-6-11(8-13)10(2)19/h5-9H,4H2,1-3H3,(H,16,20).
What are the key properties of N-(3-acetylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
N-(3-acetylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 66120934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).