5-amino-1-benzyl-N-[(3-hydroxy-4-methoxyphenyl)methyl]-3-methylpyrazole-4-carboxamide

C20H22N4O3 — CID 146086480

IUPAC5-amino-1-benzyl-N-[(3-hydroxy-4-methoxyphenyl)methyl]-3-methylpyrazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2c(C)nn(Cc3ccccc3)c2N)cc1O
InChIInChI=1S/C20H22N4O3/c1-13-18(19(21)24(23-13)12-14-6-4-3-5-7-14)20(26)22-11-15-8-9-17(27-2)16(25)10-15/h3-10,25H,11-12,21H2,1-2H3,(H,22,26)
InChIKeyYBSMKUJNFJCPMW-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.47
Rot. Bonds6

About 5-amino-1-benzyl-N-[(3-hydroxy-4-methoxyphenyl)methyl]-3-methylpyrazole-4-carboxamide

5-amino-1-benzyl-N-[(3-hydroxy-4-methoxyphenyl)methyl]-3-methylpyrazole-4-carboxamide (PubChem CID 146086480) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 5-amino-1-benzyl-N-[(3-hydroxy-4-methoxyphenyl)methyl]-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-benzyl-N-[(3-hydroxy-4-methoxyphenyl)methyl]-3-methylpyrazole-4-carboxamide
PubChem CID146086480
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name5-amino-1-benzyl-N-[(3-hydroxy-4-methoxyphenyl)methyl]-3-methylpyrazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2c(C)nn(Cc3ccccc3)c2N)cc1O
InChIInChI=1S/C20H22N4O3/c1-13-18(19(21)24(23-13)12-14-6-4-3-5-7-14)20(26)22-11-15-8-9-17(27-2)16(25)10-15/h3-10,25H,11-12,21H2,1-2H3,(H,22,26)
InChIKeyYBSMKUJNFJCPMW-UHFFFAOYSA-N
XLogP2.47
TPSA102.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-1-benzyl-3-methyl-N-[(4-methylsulfinylphenyl)methyl]pyrazole-4-carboxamide
CID 146086421
1-benzyl-3,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 26446623
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-3-methyl-1-[(4-methylphenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 26445004
1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-5-ethylpyrazole-4-carboxamide
CID 78874236
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 51278295
5-chloro-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 41497826
N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 9208102
N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 9403965
5-[[(1-benzylpyrazol-3-yl)amino]methyl]-2-methoxyphenol
CID 71918483

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-benzyl-N-[(3-hydroxy-4-methoxyphenyl)methyl]-3-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-benzyl-N-[(3-hydroxy-4-methoxyphenyl)methyl]-3-methylpyrazole-4-carboxamide (CID 146086480) is 5-amino-1-benzyl-N-[(3-hydroxy-4-methoxyphenyl)methyl]-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-benzyl-N-[(3-hydroxy-4-methoxyphenyl)methyl]-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-benzyl-N-[(3-hydroxy-4-methoxyphenyl)methyl]-3-methylpyrazole-4-carboxamide is COc1ccc(CNC(=O)c2c(C)nn(Cc3ccccc3)c2N)cc1O.
What is the InChIKey of 5-amino-1-benzyl-N-[(3-hydroxy-4-methoxyphenyl)methyl]-3-methylpyrazole-4-carboxamide?
The InChIKey is YBSMKUJNFJCPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-13-18(19(21)24(23-13)12-14-6-4-3-5-7-14)20(26)22-11-15-8-9-17(27-2)16(25)10-15/h3-10,25H,11-12,21H2,1-2H3,(H,22,26).
What are the key properties of 5-amino-1-benzyl-N-[(3-hydroxy-4-methoxyphenyl)methyl]-3-methylpyrazole-4-carboxamide?
5-amino-1-benzyl-N-[(3-hydroxy-4-methoxyphenyl)methyl]-3-methylpyrazole-4-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.47, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-benzyl-N-[(3-hydroxy-4-methoxyphenyl)methyl]-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 146086480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).