4-amino-N-(4-chloro-3-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide

C13H15ClN4O2 — CID 107620701

IUPAC4-amino-N-(4-chloro-3-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2c(N)c(C)nn2C)ccc1Cl
InChIInChI=1S/C13H15ClN4O2/c1-7-11(15)12(18(2)17-7)13(19)16-8-4-5-9(14)10(6-8)20-3/h4-6H,15H2,1-3H3,(H,16,19)
InChIKeyYLFCYCUHUKSAQZ-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.23
Rot. Bonds3

About 4-amino-N-(4-chloro-3-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide

4-amino-N-(4-chloro-3-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 107620701) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is 4-amino-N-(4-chloro-3-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-chloro-3-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
PubChem CID107620701
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name4-amino-N-(4-chloro-3-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2c(N)c(C)nn2C)ccc1Cl
InChIInChI=1S/C13H15ClN4O2/c1-7-11(15)12(18(2)17-7)13(19)16-8-4-5-9(14)10(6-8)20-3/h4-6H,15H2,1-3H3,(H,16,19)
InChIKeyYLFCYCUHUKSAQZ-UHFFFAOYSA-N
XLogP2.23
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(4-bromo-3-chlorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 107618406
4-amino-N-(5-chloro-2-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66121449
4-amino-N-(4-chloro-3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 107620644
4-amino-1-ethyl-N-(4-methoxy-3-methylphenyl)-3-methylpyrazole-5-carboxamide
CID 66123117
5-amino-N-(4-chloro-3-methoxyphenyl)pyrazine-2-carboxamide
CID 107623030
4-amino-N-(2,4-dibromo-5-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 103410503
4-amino-N-(2-chlorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66119861
3-amino-N-(4-chloro-3-methoxyphenyl)-4-methoxybenzamide
CID 107620662
4-amino-N-(4-methoxy-2-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66124203
N-(3,4-dimethoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 36763541
4-amino-N-(4-chloro-2-iodophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 107624168
4-amino-N-(3-fluoro-5-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 79048774

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-chloro-3-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(4-chloro-3-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide (CID 107620701) is 4-amino-N-(4-chloro-3-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(4-chloro-3-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(4-chloro-3-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide is COc1cc(NC(=O)c2c(N)c(C)nn2C)ccc1Cl.
What is the InChIKey of 4-amino-N-(4-chloro-3-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is YLFCYCUHUKSAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c1-7-11(15)12(18(2)17-7)13(19)16-8-4-5-9(14)10(6-8)20-3/h4-6H,15H2,1-3H3,(H,16,19).
What are the key properties of 4-amino-N-(4-chloro-3-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide?
4-amino-N-(4-chloro-3-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 294.74 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-chloro-3-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 107620701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).