N-[(4-acetamidophenyl)methyl]-4-amino-5-methyl-1H-pyrazole-3-carboxamide

C14H17N5O2 — CID 62081238

IUPACN-[(4-acetamidophenyl)methyl]-4-amino-5-methyl-1H-pyrazole-3-carboxamide
SMILESCC(=O)Nc1ccc(CNC(=O)c2n[nH]c(C)c2N)cc1
InChIInChI=1S/C14H17N5O2/c1-8-12(15)13(19-18-8)14(21)16-7-10-3-5-11(6-4-10)17-9(2)20/h3-6H,7,15H2,1-2H3,(H,16,21)(H,17,20)(H,18,19)
InChIKeyVBDHDYAJSGMIML-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.19
Rot. Bonds4

About N-[(4-acetamidophenyl)methyl]-4-amino-5-methyl-1H-pyrazole-3-carboxamide

N-[(4-acetamidophenyl)methyl]-4-amino-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 62081238) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methyl]-4-amino-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methyl]-4-amino-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID62081238
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN-[(4-acetamidophenyl)methyl]-4-amino-5-methyl-1H-pyrazole-3-carboxamide
SMILESCC(=O)Nc1ccc(CNC(=O)c2n[nH]c(C)c2N)cc1
InChIInChI=1S/C14H17N5O2/c1-8-12(15)13(19-18-8)14(21)16-7-10-3-5-11(6-4-10)17-9(2)20/h3-6H,7,15H2,1-2H3,(H,16,21)(H,17,20)(H,18,19)
InChIKeyVBDHDYAJSGMIML-UHFFFAOYSA-N
XLogP1.19
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(4-butylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62081041
N-[(4-acetamidophenyl)methyl]-1H-indazole-3-carboxamide
CID 18154228
4-amino-N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 62082800
N-[(4-acetamidophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 61066667
4-amino-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrazole-3-carboxamide
CID 62323870
4-amino-N-(2,6-diethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62082971
4-amino-N-[(4-chlorophenyl)methyl]-5-ethyl-1H-pyrazole-3-carboxamide
CID 62082153
4-amino-N-[(4-ethylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 106899103
4-amino-5-methyl-N-naphthalen-1-yl-1H-pyrazole-3-carboxamide
CID 62082084
4-amino-N-(2,2-dimethylpropyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62080909
4-amino-5-methyl-N-(2-methylsulfonylethyl)-1H-pyrazole-3-carboxamide
CID 62082279
4-amino-5-methyl-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 62083149

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methyl]-4-amino-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(4-acetamidophenyl)methyl]-4-amino-5-methyl-1H-pyrazole-3-carboxamide (CID 62081238) is N-[(4-acetamidophenyl)methyl]-4-amino-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(4-acetamidophenyl)methyl]-4-amino-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(4-acetamidophenyl)methyl]-4-amino-5-methyl-1H-pyrazole-3-carboxamide is CC(=O)Nc1ccc(CNC(=O)c2n[nH]c(C)c2N)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)methyl]-4-amino-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is VBDHDYAJSGMIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-8-12(15)13(19-18-8)14(21)16-7-10-3-5-11(6-4-10)17-9(2)20/h3-6H,7,15H2,1-2H3,(H,16,21)(H,17,20)(H,18,19).
What are the key properties of N-[(4-acetamidophenyl)methyl]-4-amino-5-methyl-1H-pyrazole-3-carboxamide?
N-[(4-acetamidophenyl)methyl]-4-amino-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.19, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)methyl]-4-amino-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62081238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).