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

C12H13ClN4O2 — CID 107620644

IUPAC4-amino-N-(4-chloro-3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2c(N)cnn2C)ccc1Cl
InChIInChI=1S/C12H13ClN4O2/c1-17-11(9(14)6-15-17)12(18)16-7-3-4-8(13)10(5-7)19-2/h3-6H,14H2,1-2H3,(H,16,18)
InChIKeyPTBQNCBMVQQQNJ-UHFFFAOYSA-N
MW280.72 g/mol
LogP1.92
Rot. Bonds3

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

4-amino-N-(4-chloro-3-methoxyphenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 107620644) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.72 g/mol. Its IUPAC name is 4-amino-N-(4-chloro-3-methoxyphenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-chloro-3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
PubChem CID107620644
Molecular FormulaC12H13ClN4O2
Molecular Weight280.72 g/mol
Exact Mass280.07
IUPAC Name4-amino-N-(4-chloro-3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2c(N)cnn2C)ccc1Cl
InChIInChI=1S/C12H13ClN4O2/c1-17-11(9(14)6-15-17)12(18)16-7-3-4-8(13)10(5-7)19-2/h3-6H,14H2,1-2H3,(H,16,18)
InChIKeyPTBQNCBMVQQQNJ-UHFFFAOYSA-N
XLogP1.92
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(4-chloro-3-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 107620701
N-(4-acetamido-3-chlorophenyl)-4-amino-1-methylpyrazole-5-carboxamide
CID 65355536
4-chloro-N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methylpyrazole-5-carboxamide
CID 19475965
5-amino-N-(4-chloro-3-methoxyphenyl)pyrazine-2-carboxamide
CID 107623030
3-amino-N-(4-chloro-3-methoxyphenyl)-4-methoxybenzamide
CID 107620662
4-amino-N-(4-carbamoylphenyl)-1-methylpyrazole-5-carboxamide
CID 65355760
4-amino-N-[3-(methoxymethyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 65359651
N-(4-amino-3-methoxyphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 61241001
N-(4-amino-3-methoxyphenyl)-2-methylpyrazole-3-carboxamide
CID 61239849
4-amino-N-[4-(methanesulfonamido)phenyl]-1-methylpyrazole-5-carboxamide
CID 65356183
4-bromo-N-(4-chloro-3-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 107300892
4-amino-N-[3-(dimethylamino)phenyl]-1-methylpyrazole-5-carboxamide
CID 115375767

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-chloro-3-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(4-chloro-3-methoxyphenyl)-1-methylpyrazole-5-carboxamide (CID 107620644) is 4-amino-N-(4-chloro-3-methoxyphenyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(4-chloro-3-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(4-chloro-3-methoxyphenyl)-1-methylpyrazole-5-carboxamide is COc1cc(NC(=O)c2c(N)cnn2C)ccc1Cl.
What is the InChIKey of 4-amino-N-(4-chloro-3-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is PTBQNCBMVQQQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c1-17-11(9(14)6-15-17)12(18)16-7-3-4-8(13)10(5-7)19-2/h3-6H,14H2,1-2H3,(H,16,18).
What are the key properties of 4-amino-N-(4-chloro-3-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
4-amino-N-(4-chloro-3-methoxyphenyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 280.72 g/mol, XLogP of 1.92, 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-methylpyrazole-5-carboxamide is sourced from PubChem (CID 107620644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).