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

C23H28N4O — CID 43058783

IUPACN-[[4-(dimethylamino)phenyl]methyl]-5-ethyl-N-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)N(C)Cc2ccc(N(C)C)cc2)cnn1-c1cccc(C)c1
InChIInChI=1S/C23H28N4O/c1-6-22-21(15-24-27(22)20-9-7-8-17(2)14-20)23(28)26(5)16-18-10-12-19(13-11-18)25(3)4/h7-15H,6,16H2,1-5H3
InChIKeyRTPUSJZVHQFXRB-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.08
Rot. Bonds6

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

N-[[4-(dimethylamino)phenyl]methyl]-5-ethyl-N-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide (PubChem CID 43058783) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-5-ethyl-N-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-5-ethyl-N-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
PubChem CID43058783
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-5-ethyl-N-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)N(C)Cc2ccc(N(C)C)cc2)cnn1-c1cccc(C)c1
InChIInChI=1S/C23H28N4O/c1-6-22-21(15-24-27(22)20-9-7-8-17(2)14-20)23(28)26(5)16-18-10-12-19(13-11-18)25(3)4/h7-15H,6,16H2,1-5H3
InChIKeyRTPUSJZVHQFXRB-UHFFFAOYSA-N
XLogP4.08
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-N,N-dimethyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 30837651
N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 30767127
N,1-dibenzyl-5-ethyl-N-methylpyrazole-4-carboxamide
CID 78874071
N-[(4-fluorophenyl)methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 30766739
N-[[4-(dimethylamino)phenyl]methyl]-N,1-dimethyl-5-phenylpyrazole-4-carboxamide
CID 166198818
N-benzyl-N-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 6623611
N-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 36746441
2-[[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]-propylamino]acetic acid
CID 119204742
4-(bromomethyl)-5-ethyl-1-(3-methylphenyl)pyrazole
CID 66436392
5-[[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119221801
N-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 3827367
5-ethyl-N-[(2-methoxy-5-methylphenyl)methyl]-1-(6-methoxypyridazin-3-yl)-N-methylpyrazole-4-carboxamide
CID 31954971

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-5-ethyl-N-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-5-ethyl-N-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide (CID 43058783) is N-[[4-(dimethylamino)phenyl]methyl]-5-ethyl-N-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-5-ethyl-N-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-5-ethyl-N-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide is CCc1c(C(=O)N(C)Cc2ccc(N(C)C)cc2)cnn1-c1cccc(C)c1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-5-ethyl-N-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is RTPUSJZVHQFXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-6-22-21(15-24-27(22)20-9-7-8-17(2)14-20)23(28)26(5)16-18-10-12-19(13-11-18)25(3)4/h7-15H,6,16H2,1-5H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-5-ethyl-N-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide?
N-[[4-(dimethylamino)phenyl]methyl]-5-ethyl-N-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-5-ethyl-N-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 43058783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).