N-[(1R)-2-(dimethylamino)-1-phenylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide

C21H24N4O — CID 34464052

IUPACN-[(1R)-2-(dimethylamino)-1-phenylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N[C@@H](CN(C)C)c2ccccc2)cnn1-c1ccccc1
InChIInChI=1S/C21H24N4O/c1-16-19(14-22-25(16)18-12-8-5-9-13-18)21(26)23-20(15-24(2)3)17-10-6-4-7-11-17/h4-14,20H,15H2,1-3H3,(H,23,26)/t20-/m0/s1
InChIKeyDOXYIBIACKGGEJ-FQEVSTJZSA-N
MW348.45 g/mol
LogP3.21
Rot. Bonds6

About N-[(1R)-2-(dimethylamino)-1-phenylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide

N-[(1R)-2-(dimethylamino)-1-phenylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 34464052) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[(1R)-2-(dimethylamino)-1-phenylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-(dimethylamino)-1-phenylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID34464052
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-[(1R)-2-(dimethylamino)-1-phenylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N[C@@H](CN(C)C)c2ccccc2)cnn1-c1ccccc1
InChIInChI=1S/C21H24N4O/c1-16-19(14-22-25(16)18-12-8-5-9-13-18)21(26)23-20(15-24(2)3)17-10-6-4-7-11-17/h4-14,20H,15H2,1-3H3,(H,23,26)/t20-/m0/s1
InChIKeyDOXYIBIACKGGEJ-FQEVSTJZSA-N
XLogP3.21
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 8938193
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 8938195
methyl 3-(3-bromophenyl)-3-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoate
CID 60568769
5-methyl-1-phenyl-N-[(S)-phenyl(pyridin-2-yl)methyl]pyrazole-4-carboxamide
CID 51927508
N-[2-(dimethylamino)-1-phenylethyl]-2,3-dimethylbenzamide
CID 78819640
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 8936937
N-[2-(dimethylamino)-1-phenylethyl]-6-methylpyridine-2-carboxamide
CID 78845972
N-(2-chloro-1-phenylethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 114300138
N-[2-(dimethylamino)-1-phenylethyl]-1-methylindole-3-carboxamide
CID 24504351
N-(2-hydroxy-1-phenylethyl)-5-methyl-1-pentan-3-ylpyrazole-4-carboxamide
CID 110001403
2-chloro-N-[2-(dimethylamino)-1-phenylethyl]furan-3-carboxamide
CID 106686543
N-[cyclopropyl-(4-methylphenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 24625944

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(dimethylamino)-1-phenylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[(1R)-2-(dimethylamino)-1-phenylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide (CID 34464052) is N-[(1R)-2-(dimethylamino)-1-phenylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-2-(dimethylamino)-1-phenylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[(1R)-2-(dimethylamino)-1-phenylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide is Cc1c(C(=O)N[C@@H](CN(C)C)c2ccccc2)cnn1-c1ccccc1.
What is the InChIKey of N-[(1R)-2-(dimethylamino)-1-phenylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is DOXYIBIACKGGEJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H24N4O/c1-16-19(14-22-25(16)18-12-8-5-9-13-18)21(26)23-20(15-24(2)3)17-10-6-4-7-11-17/h4-14,20H,15H2,1-3H3,(H,23,26)/t20-/m0/s1.
What are the key properties of N-[(1R)-2-(dimethylamino)-1-phenylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide?
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(dimethylamino)-1-phenylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 34464052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).