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

C20H30N4O — CID 70752326

IUPACN-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCc1ccc(C(CNC(=O)c2cc(CC(C)C)nn2C)N(C)C)cc1
InChIInChI=1S/C20H30N4O/c1-14(2)11-17-12-18(24(6)22-17)20(25)21-13-19(23(4)5)16-9-7-15(3)8-10-16/h7-10,12,14,19H,11,13H2,1-6H3,(H,21,25)
InChIKeyJSARIVYFNVJBBK-UHFFFAOYSA-N
MW342.49 g/mol
LogP2.96
Rot. Bonds7

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

N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide (PubChem CID 70752326) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
PubChem CID70752326
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC NameN-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCc1ccc(C(CNC(=O)c2cc(CC(C)C)nn2C)N(C)C)cc1
InChIInChI=1S/C20H30N4O/c1-14(2)11-17-12-18(24(6)22-17)20(25)21-13-19(23(4)5)16-9-7-15(3)8-10-16/h7-10,12,14,19H,11,13H2,1-6H3,(H,21,25)
InChIKeyJSARIVYFNVJBBK-UHFFFAOYSA-N
XLogP2.96
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 70762626
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 74236464
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 47082065
1-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 70776595
N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 97342015
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 45132897
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87023429
N,1-dimethyl-3-(2-methylpropyl)-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]pyrazole-5-carboxamide
CID 96579908
3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1,1-diethylurea
CID 60597801
N-[(4,6-dimethyl-3-pyridinyl)methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 70781233
N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 50968447
(2R)-N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-propan-2-ylsulfonylpropanamide
CID 94821438

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide (CID 70752326) is N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide is Cc1ccc(C(CNC(=O)c2cc(CC(C)C)nn2C)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
The InChIKey is JSARIVYFNVJBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-14(2)11-17-12-18(24(6)22-17)20(25)21-13-19(23(4)5)16-9-7-15(3)8-10-16/h7-10,12,14,19H,11,13H2,1-6H3,(H,21,25).
What are the key properties of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide has a molecular weight of 342.49 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 70752326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).