4-amino-N-(3,5-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxamide

C13H16N4O3 — CID 62082085

IUPAC4-amino-N-(3,5-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCOc1cc(NC(=O)c2n[nH]c(C)c2N)cc(OC)c1
InChIInChI=1S/C13H16N4O3/c1-7-11(14)12(17-16-7)13(18)15-8-4-9(19-2)6-10(5-8)20-3/h4-6H,14H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyPSZSGOSUTVFDGB-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.57
Rot. Bonds4

About 4-amino-N-(3,5-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxamide

4-amino-N-(3,5-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 62082085) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 4-amino-N-(3,5-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3,5-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID62082085
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name4-amino-N-(3,5-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCOc1cc(NC(=O)c2n[nH]c(C)c2N)cc(OC)c1
InChIInChI=1S/C13H16N4O3/c1-7-11(14)12(17-16-7)13(18)15-8-4-9(19-2)6-10(5-8)20-3/h4-6H,14H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyPSZSGOSUTVFDGB-UHFFFAOYSA-N
XLogP1.57
TPSA102.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582482
4-amino-5-methyl-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 62083149
3-amino-N-(3-bromo-5-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 82859958
4-amino-5-methyl-N-(1-methylpyrazol-4-yl)-1H-pyrazole-3-carboxamide
CID 62082097
4-amino-5-methyl-N-(3-sulfamoylphenyl)-1H-pyrazole-3-carboxamide
CID 62083333
4-amino-5-methyl-N-(2,4,5-trichlorophenyl)-1H-pyrazole-3-carboxamide
CID 62081034
N-(3,5-dimethoxyphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 53195130
4-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62080864
4-amino-N-(4-ethoxy-2-methylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62083175
4-amino-N-(4-butylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62081041
4-amino-N-(2,6-diethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62082971
4-amino-N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 62082800

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,5-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(3,5-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxamide (CID 62082085) is 4-amino-N-(3,5-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(3,5-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(3,5-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxamide is COc1cc(NC(=O)c2n[nH]c(C)c2N)cc(OC)c1.
What is the InChIKey of 4-amino-N-(3,5-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is PSZSGOSUTVFDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-7-11(14)12(17-16-7)13(18)15-8-4-9(19-2)6-10(5-8)20-3/h4-6H,14H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 4-amino-N-(3,5-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxamide?
4-amino-N-(3,5-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 276.30 g/mol, XLogP of 1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,5-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62082085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).