4-amino-N-(2-methoxy-4-methylphenyl)-1-methylpyrazole-3-carboxamide

C13H16N4O2 — CID 65354104

IUPAC4-amino-N-(2-methoxy-4-methylphenyl)-1-methylpyrazole-3-carboxamide
SMILESCOc1cc(C)ccc1NC(=O)c1nn(C)cc1N
InChIInChI=1S/C13H16N4O2/c1-8-4-5-10(11(6-8)19-3)15-13(18)12-9(14)7-17(2)16-12/h4-7H,14H2,1-3H3,(H,15,18)
InChIKeyOXAAJCJUCOERSG-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.57
Rot. Bonds3

About 4-amino-N-(2-methoxy-4-methylphenyl)-1-methylpyrazole-3-carboxamide

4-amino-N-(2-methoxy-4-methylphenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 65354104) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-amino-N-(2-methoxy-4-methylphenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-methoxy-4-methylphenyl)-1-methylpyrazole-3-carboxamide
PubChem CID65354104
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name4-amino-N-(2-methoxy-4-methylphenyl)-1-methylpyrazole-3-carboxamide
SMILESCOc1cc(C)ccc1NC(=O)c1nn(C)cc1N
InChIInChI=1S/C13H16N4O2/c1-8-4-5-10(11(6-8)19-3)15-13(18)12-9(14)7-17(2)16-12/h4-7H,14H2,1-3H3,(H,15,18)
InChIKeyOXAAJCJUCOERSG-UHFFFAOYSA-N
XLogP1.57
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 65355061
4-amino-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 65354485
4-amino-N-(5-chloro-2-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 65355117
3-amino-N-(2-methoxy-4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 64526078
4-amino-1-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 66481317
4-amino-1-methyl-N-(2-methyl-5-methylsulfonylphenyl)pyrazole-3-carboxamide
CID 65354301
4-iodo-N-(2-methoxy-4-nitrophenyl)-1-methylpyrazole-3-carboxamide
CID 19261946
4-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide
CID 65355175
4-amino-N-(2-methoxy-4-methylphenyl)-1H-pyrrole-2-carboxamide
CID 61117898
4-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 3404956
4-amino-N-(5-chloro-2-propoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 65354625
4-amino-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide
CID 61117425

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methoxy-4-methylphenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2-methoxy-4-methylphenyl)-1-methylpyrazole-3-carboxamide (CID 65354104) is 4-amino-N-(2-methoxy-4-methylphenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-methoxy-4-methylphenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-methoxy-4-methylphenyl)-1-methylpyrazole-3-carboxamide is COc1cc(C)ccc1NC(=O)c1nn(C)cc1N.
What is the InChIKey of 4-amino-N-(2-methoxy-4-methylphenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is OXAAJCJUCOERSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-8-4-5-10(11(6-8)19-3)15-13(18)12-9(14)7-17(2)16-12/h4-7H,14H2,1-3H3,(H,15,18).
What are the key properties of 4-amino-N-(2-methoxy-4-methylphenyl)-1-methylpyrazole-3-carboxamide?
4-amino-N-(2-methoxy-4-methylphenyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methoxy-4-methylphenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 65354104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).