N-(4-amino-1,3-dimethylpyrazol-5-yl)-3,5-dihydroxybenzamide

C12H14N4O3 — CID 107702247

IUPACN-(4-amino-1,3-dimethylpyrazol-5-yl)-3,5-dihydroxybenzamide
SMILESCc1nn(C)c(NC(=O)c2cc(O)cc(O)c2)c1N
InChIInChI=1S/C12H14N4O3/c1-6-10(13)11(16(2)15-6)14-12(19)7-3-8(17)5-9(18)4-7/h3-5,17-18H,13H2,1-2H3,(H,14,19)
InChIKeyYMLDNTDMDXDCBY-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.97
Rot. Bonds2

About N-(4-amino-1,3-dimethylpyrazol-5-yl)-3,5-dihydroxybenzamide

N-(4-amino-1,3-dimethylpyrazol-5-yl)-3,5-dihydroxybenzamide (PubChem CID 107702247) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is N-(4-amino-1,3-dimethylpyrazol-5-yl)-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-(4-amino-1,3-dimethylpyrazol-5-yl)-3,5-dihydroxybenzamide
PubChem CID107702247
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC NameN-(4-amino-1,3-dimethylpyrazol-5-yl)-3,5-dihydroxybenzamide
SMILESCc1nn(C)c(NC(=O)c2cc(O)cc(O)c2)c1N
InChIInChI=1S/C12H14N4O3/c1-6-10(13)11(16(2)15-6)14-12(19)7-3-8(17)5-9(18)4-7/h3-5,17-18H,13H2,1-2H3,(H,14,19)
InChIKeyYMLDNTDMDXDCBY-UHFFFAOYSA-N
XLogP0.97
TPSA113.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-amino-1,3-dimethylpyrazol-5-yl)-2,5-dichlorothiophene-3-carboxamide
CID 107959513
N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-(2-methoxyethoxy)acetamide
CID 114031928
N-(4-amino-1,3-dimethylpyrazol-5-yl)-3-bromo-2-fluorobenzamide
CID 107948865
2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propanamide
CID 43554343
N-(4-amino-1,3-dimethylpyrazol-5-yl)-3-methylpentanamide
CID 114873543
4-amino-1,3-dimethyl-5-(sulfamoylamino)pyrazole
CID 114958732
1-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]ethanol
CID 70039716
ethyl 2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]acetate
CID 60812243
4-amino-1,3-dimethyl-N-pyrimidin-2-ylpyrazole-5-carboxamide
CID 66121641
3-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]-3-methylbutanamide
CID 106095591
N-(2,4,5-trimethylpyrazol-3-yl)acetamide
CID 127292748
4-amino-N-(3-fluoro-5-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 79048774

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1,3-dimethylpyrazol-5-yl)-3,5-dihydroxybenzamide?
The IUPAC name of N-(4-amino-1,3-dimethylpyrazol-5-yl)-3,5-dihydroxybenzamide (CID 107702247) is N-(4-amino-1,3-dimethylpyrazol-5-yl)-3,5-dihydroxybenzamide.
What is the SMILES notation for N-(4-amino-1,3-dimethylpyrazol-5-yl)-3,5-dihydroxybenzamide?
The canonical SMILES for N-(4-amino-1,3-dimethylpyrazol-5-yl)-3,5-dihydroxybenzamide is Cc1nn(C)c(NC(=O)c2cc(O)cc(O)c2)c1N.
What is the InChIKey of N-(4-amino-1,3-dimethylpyrazol-5-yl)-3,5-dihydroxybenzamide?
The InChIKey is YMLDNTDMDXDCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-6-10(13)11(16(2)15-6)14-12(19)7-3-8(17)5-9(18)4-7/h3-5,17-18H,13H2,1-2H3,(H,14,19).
What are the key properties of N-(4-amino-1,3-dimethylpyrazol-5-yl)-3,5-dihydroxybenzamide?
N-(4-amino-1,3-dimethylpyrazol-5-yl)-3,5-dihydroxybenzamide has a molecular weight of 262.27 g/mol, XLogP of 0.97, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1,3-dimethylpyrazol-5-yl)-3,5-dihydroxybenzamide is sourced from PubChem (CID 107702247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).