4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide

C14H17ClN4O2 — CID 66121054

IUPAC4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1c(N)c(C)nn1C
InChIInChI=1S/C14H17ClN4O2/c1-7-5-10(11(21-4)6-9(7)15)17-14(20)13-12(16)8(2)18-19(13)3/h5-6H,16H2,1-4H3,(H,17,20)
InChIKeyUKHSVUTVKPWYND-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.53
Rot. Bonds3

About 4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide

4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 66121054) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
PubChem CID66121054
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1c(N)c(C)nn1C
InChIInChI=1S/C14H17ClN4O2/c1-7-5-10(11(21-4)6-9(7)15)17-14(20)13-12(16)8(2)18-19(13)3/h5-6H,16H2,1-4H3,(H,17,20)
InChIKeyUKHSVUTVKPWYND-UHFFFAOYSA-N
XLogP2.53
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(5-chloro-2-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66121449
4-amino-N-(4-chloro-3-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 107620701
4-amino-N-(2,4-dibromo-5-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 103410503
4-amino-N-(4-methoxy-2-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66124203
4-chloro-N-(2,5-dimethoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 4278668
4-chloro-N-(5-chloro-2-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 5048499
3,5-diamino-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide
CID 61091211
4-amino-N-(4-chloro-2-iodophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 107624168
2-amino-6-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 62153569
6-amino-5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 62153748
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-4-methylbenzamide
CID 9083792
5-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide
CID 43337149

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide (CID 66121054) is 4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)c1c(N)c(C)nn1C.
What is the InChIKey of 4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is UKHSVUTVKPWYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-7-5-10(11(21-4)6-9(7)15)17-14(20)13-12(16)8(2)18-19(13)3/h5-6H,16H2,1-4H3,(H,17,20).
What are the key properties of 4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide?
4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 308.77 g/mol, XLogP of 2.53, 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-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 66121054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).