N-(4-acetamido-3-chlorophenyl)-4-amino-1-methylpyrazole-5-carboxamide

C13H14ClN5O2 — CID 65355536

IUPACN-(4-acetamido-3-chlorophenyl)-4-amino-1-methylpyrazole-5-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2c(N)cnn2C)cc1Cl
InChIInChI=1S/C13H14ClN5O2/c1-7(20)17-11-4-3-8(5-9(11)14)18-13(21)12-10(15)6-16-19(12)2/h3-6H,15H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyRTEZAPCRBZHSNO-UHFFFAOYSA-N
MW307.74 g/mol
LogP1.87
Rot. Bonds3

About N-(4-acetamido-3-chlorophenyl)-4-amino-1-methylpyrazole-5-carboxamide

N-(4-acetamido-3-chlorophenyl)-4-amino-1-methylpyrazole-5-carboxamide (PubChem CID 65355536) has the molecular formula C13H14ClN5O2 and a molecular weight of 307.74 g/mol. Its IUPAC name is N-(4-acetamido-3-chlorophenyl)-4-amino-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetamido-3-chlorophenyl)-4-amino-1-methylpyrazole-5-carboxamide
PubChem CID65355536
Molecular FormulaC13H14ClN5O2
Molecular Weight307.74 g/mol
Exact Mass307.08
IUPAC NameN-(4-acetamido-3-chlorophenyl)-4-amino-1-methylpyrazole-5-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2c(N)cnn2C)cc1Cl
InChIInChI=1S/C13H14ClN5O2/c1-7(20)17-11-4-3-8(5-9(11)14)18-13(21)12-10(15)6-16-19(12)2/h3-6H,15H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyRTEZAPCRBZHSNO-UHFFFAOYSA-N
XLogP1.87
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(4-chloro-3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 107620644
4-chloro-N-[3-chloro-4-(propanoylamino)phenyl]-1-methylpyrazole-5-carboxamide
CID 50981583
4-amino-N-(4-carbamoylphenyl)-1-methylpyrazole-5-carboxamide
CID 65355760
N-(4-acetamido-3-chlorophenyl)-2-aminobenzamide
CID 43402960
4-amino-N-(5-chloro-2-methylphenyl)-1-methylpyrazole-5-carboxamide
CID 65356207
4-amino-N-[4-(methanesulfonamido)phenyl]-1-methylpyrazole-5-carboxamide
CID 65356183
4-amino-N-[3-(dimethylamino)phenyl]-1-methylpyrazole-5-carboxamide
CID 115375767
4-amino-N-[4-(dimethylcarbamoyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 65355685
4-amino-1-methyl-N-pyridin-3-ylpyrazole-5-carboxamide
CID 65355553
N-(4-acetamido-3-chlorophenyl)-2H-triazole-4-carboxamide
CID 112729777
4-amino-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-5-carboxamide
CID 65355912
4-amino-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide
CID 7017546

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-chlorophenyl)-4-amino-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(4-acetamido-3-chlorophenyl)-4-amino-1-methylpyrazole-5-carboxamide (CID 65355536) is N-(4-acetamido-3-chlorophenyl)-4-amino-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(4-acetamido-3-chlorophenyl)-4-amino-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(4-acetamido-3-chlorophenyl)-4-amino-1-methylpyrazole-5-carboxamide is CC(=O)Nc1ccc(NC(=O)c2c(N)cnn2C)cc1Cl.
What is the InChIKey of N-(4-acetamido-3-chlorophenyl)-4-amino-1-methylpyrazole-5-carboxamide?
The InChIKey is RTEZAPCRBZHSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O2/c1-7(20)17-11-4-3-8(5-9(11)14)18-13(21)12-10(15)6-16-19(12)2/h3-6H,15H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-(4-acetamido-3-chlorophenyl)-4-amino-1-methylpyrazole-5-carboxamide?
N-(4-acetamido-3-chlorophenyl)-4-amino-1-methylpyrazole-5-carboxamide has a molecular weight of 307.74 g/mol, XLogP of 1.87, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-chlorophenyl)-4-amino-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 65355536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).