4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide

C13H15ClN4O3 — CID 65355061

IUPAC4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide
SMILESCOc1cc(NC(=O)c2nn(C)cc2N)c(OC)cc1Cl
InChIInChI=1S/C13H15ClN4O3/c1-18-6-8(15)12(17-18)13(19)16-9-5-10(20-2)7(14)4-11(9)21-3/h4-6H,15H2,1-3H3,(H,16,19)
InChIKeyDWURDWJFJJKWGR-UHFFFAOYSA-N
MW310.74 g/mol
LogP1.93
Rot. Bonds4

About 4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide

4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 65355061) has the molecular formula C13H15ClN4O3 and a molecular weight of 310.74 g/mol. Its IUPAC name is 4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide
PubChem CID65355061
Molecular FormulaC13H15ClN4O3
Molecular Weight310.74 g/mol
Exact Mass310.08
IUPAC Name4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide
SMILESCOc1cc(NC(=O)c2nn(C)cc2N)c(OC)cc1Cl
InChIInChI=1S/C13H15ClN4O3/c1-18-6-8(15)12(17-18)13(19)16-9-5-10(20-2)7(14)4-11(9)21-3/h4-6H,15H2,1-3H3,(H,16,19)
InChIKeyDWURDWJFJJKWGR-UHFFFAOYSA-N
XLogP1.93
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 3404956
4-amino-N-(2-methoxy-4-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 65354104
4-amino-N-(5-chloro-2-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 65355117
4-amino-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 65354485
4-amino-N-(5-chloro-2-propoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 65354625
N-(4-chloro-2,5-dimethoxyphenyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110692030
4-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 2164180
N-(4-chloro-2,5-dimethoxyphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 110864454
1-amino-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 43163908
3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 107517707
N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dimethylbenzamide
CID 918553
6-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyrazine-2-carboxamide
CID 103336862

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide (CID 65355061) is 4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide is COc1cc(NC(=O)c2nn(C)cc2N)c(OC)cc1Cl.
What is the InChIKey of 4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is DWURDWJFJJKWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O3/c1-18-6-8(15)12(17-18)13(19)16-9-5-10(20-2)7(14)4-11(9)21-3/h4-6H,15H2,1-3H3,(H,16,19).
What are the key properties of 4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide?
4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 310.74 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 65355061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).