3-acetyl-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide

C17H22N4O2 — CID 74239195

IUPAC3-acetyl-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCC(=O)c1cc(C(=O)NCC(c2ccc(C)cc2)N(C)C)[nH]n1
InChIInChI=1S/C17H22N4O2/c1-11-5-7-13(8-6-11)16(21(3)4)10-18-17(23)15-9-14(12(2)22)19-20-15/h5-9,16H,10H2,1-4H3,(H,18,23)(H,19,20)
InChIKeyDBTFMQINYMHXQE-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.95
Rot. Bonds6

About 3-acetyl-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide

3-acetyl-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 74239195) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-acetyl-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-acetyl-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID74239195
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name3-acetyl-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCC(=O)c1cc(C(=O)NCC(c2ccc(C)cc2)N(C)C)[nH]n1
InChIInChI=1S/C17H22N4O2/c1-11-5-7-13(8-6-11)16(21(3)4)10-18-17(23)15-9-14(12(2)22)19-20-15/h5-9,16H,10H2,1-4H3,(H,18,23)(H,19,20)
InChIKeyDBTFMQINYMHXQE-UHFFFAOYSA-N
XLogP1.95
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 97134220
N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-5-ethyl-1H-pyrrole-2-carboxamide
CID 126452908
3-amino-N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 125442259
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 47082065
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-methylbenzamide
CID 7496074
N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 125154955
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 45132897
N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-phenylbenzamide
CID 8701383
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 43019850
1-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethylurea
CID 94214383
2-(aminomethyl)-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 119859473
3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1,1-diethylurea
CID 60597801

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-acetyl-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide (CID 74239195) is 3-acetyl-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-acetyl-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-acetyl-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide is CC(=O)c1cc(C(=O)NCC(c2ccc(C)cc2)N(C)C)[nH]n1.
What is the InChIKey of 3-acetyl-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is DBTFMQINYMHXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11-5-7-13(8-6-11)16(21(3)4)10-18-17(23)15-9-14(12(2)22)19-20-15/h5-9,16H,10H2,1-4H3,(H,18,23)(H,19,20).
What are the key properties of 3-acetyl-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide?
3-acetyl-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 74239195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).