5-amino-1-benzyl-3-methyl-N-[(4-methylsulfinylphenyl)methyl]pyrazole-4-carboxamide

C20H22N4O2S — CID 146086421

IUPAC5-amino-1-benzyl-3-methyl-N-[(4-methylsulfinylphenyl)methyl]pyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(N)c1C(=O)NCc1ccc(S(C)=O)cc1
InChIInChI=1S/C20H22N4O2S/c1-14-18(19(21)24(23-14)13-16-6-4-3-5-7-16)20(25)22-12-15-8-10-17(11-9-15)27(2)26/h3-11H,12-13,21H2,1-2H3,(H,22,25)
InChIKeyQUDBNPRARICTOF-UHFFFAOYSA-N
MW382.49 g/mol
LogP2.49
Rot. Bonds6

About 5-amino-1-benzyl-3-methyl-N-[(4-methylsulfinylphenyl)methyl]pyrazole-4-carboxamide

5-amino-1-benzyl-3-methyl-N-[(4-methylsulfinylphenyl)methyl]pyrazole-4-carboxamide (PubChem CID 146086421) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 5-amino-1-benzyl-3-methyl-N-[(4-methylsulfinylphenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-benzyl-3-methyl-N-[(4-methylsulfinylphenyl)methyl]pyrazole-4-carboxamide
PubChem CID146086421
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name5-amino-1-benzyl-3-methyl-N-[(4-methylsulfinylphenyl)methyl]pyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(N)c1C(=O)NCc1ccc(S(C)=O)cc1
InChIInChI=1S/C20H22N4O2S/c1-14-18(19(21)24(23-14)13-16-6-4-3-5-7-16)20(25)22-12-15-8-10-17(11-9-15)27(2)26/h3-11H,12-13,21H2,1-2H3,(H,22,25)
InChIKeyQUDBNPRARICTOF-UHFFFAOYSA-N
XLogP2.49
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-benzyl-N-[(3-hydroxy-4-methoxyphenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 146086480
5-amino-N-[[4-(1H-benzimidazol-2-yl)phenyl]methyl]-1-benzyl-3-methylpyrazole-4-carboxamide
CID 154859017
N-[(1-acetylpiperidin-4-yl)methyl]-5-amino-1-benzyl-3-methylpyrazole-4-carboxamide
CID 136541941
1-benzyl-N-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide
CID 9209843
5-chloro-N-[(4-chlorophenyl)methyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 26911967
1-benzyl-5-chloro-3-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide
CID 55714392
1-benzyl-5-chloro-N-(2-hydroxyethyl)-3-methylpyrazole-4-carboxamide
CID 78800646
N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 9208102
4-[(S)-methylsulfinyl]-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 94588492
1-benzyl-3,5-dimethylpyrazole-4-carboxylic acid
CID 2826762
1-benzyl-5-chloro-N-(2-hydroxypropyl)-3-methylpyrazole-4-carboxamide
CID 78803331
1-benzyl-3,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 26446623

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-benzyl-3-methyl-N-[(4-methylsulfinylphenyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-benzyl-3-methyl-N-[(4-methylsulfinylphenyl)methyl]pyrazole-4-carboxamide (CID 146086421) is 5-amino-1-benzyl-3-methyl-N-[(4-methylsulfinylphenyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-benzyl-3-methyl-N-[(4-methylsulfinylphenyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-benzyl-3-methyl-N-[(4-methylsulfinylphenyl)methyl]pyrazole-4-carboxamide is Cc1nn(Cc2ccccc2)c(N)c1C(=O)NCc1ccc(S(C)=O)cc1.
What is the InChIKey of 5-amino-1-benzyl-3-methyl-N-[(4-methylsulfinylphenyl)methyl]pyrazole-4-carboxamide?
The InChIKey is QUDBNPRARICTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-14-18(19(21)24(23-14)13-16-6-4-3-5-7-16)20(25)22-12-15-8-10-17(11-9-15)27(2)26/h3-11H,12-13,21H2,1-2H3,(H,22,25).
What are the key properties of 5-amino-1-benzyl-3-methyl-N-[(4-methylsulfinylphenyl)methyl]pyrazole-4-carboxamide?
5-amino-1-benzyl-3-methyl-N-[(4-methylsulfinylphenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-benzyl-3-methyl-N-[(4-methylsulfinylphenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 146086421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).