3-(1,3-dimethylpyrazol-4-yl)benzene-1,2-dicarboxamide

C13H14N4O2 — CID 144733159

IUPAC3-(1,3-dimethylpyrazol-4-yl)benzene-1,2-dicarboxamide
SMILESCc1nn(C)cc1-c1cccc(C(N)=O)c1C(N)=O
InChIInChI=1S/C13H14N4O2/c1-7-10(6-17(2)16-7)8-4-3-5-9(12(14)18)11(8)13(15)19/h3-6H,1-2H3,(H2,14,18)(H2,15,19)
InChIKeyJWFNBEVBXLVLPL-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.59
Rot. Bonds3

About 3-(1,3-dimethylpyrazol-4-yl)benzene-1,2-dicarboxamide

3-(1,3-dimethylpyrazol-4-yl)benzene-1,2-dicarboxamide (PubChem CID 144733159) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-(1,3-dimethylpyrazol-4-yl)benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name3-(1,3-dimethylpyrazol-4-yl)benzene-1,2-dicarboxamide
PubChem CID144733159
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name3-(1,3-dimethylpyrazol-4-yl)benzene-1,2-dicarboxamide
SMILESCc1nn(C)cc1-c1cccc(C(N)=O)c1C(N)=O
InChIInChI=1S/C13H14N4O2/c1-7-10(6-17(2)16-7)8-4-3-5-9(12(14)18)11(8)13(15)19/h3-6H,1-2H3,(H2,14,18)(H2,15,19)
InChIKeyJWFNBEVBXLVLPL-UHFFFAOYSA-N
XLogP0.59
TPSA104.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1,3-dimethyl-1H-pyrazol-4-yl)(phenyl)methanone
CID 673348
N-(Aminoiminomethyl)-5-(1-methyl-1H-pyrazol-4-yl)-2-naphthalenecarboxamide
CID 12004418
N-{4-[(3-methyl-1H-pyrazol-1-yl)carbonyl]phenyl}acetamide
CID 833517
N-{4-[(3-methyl-1H-pyrazol-1-yl)carbonyl]phenyl}butanamide
CID 833520
3-(1,3-dimethyl-1H-pyrazol-4-yl)-1-phenyl-2-propen-1-one
CID 5794107
4-(aminomethyl)-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2H-phthalazin-1-one
CID 156151145
4-(aminomethyl)-6-(1-propylpyrazol-4-yl)-2H-phthalazin-1-one
CID 156151182
2-[4-[4-(aminomethyl)-1-oxo-2H-phthalazin-6-yl]-1-methylpyrazol-5-yl]benzonitrile
CID 156151261
4-(aminomethyl)-6-(1-ethylpyrazol-4-yl)-2H-phthalazin-1-one
CID 156151396
4-(aminomethyl)-6-(1,5-dimethylpyrazol-4-yl)-2H-phthalazin-1-one
CID 156151694
2-[4-[4-(aminomethyl)-1-oxo-2H-phthalazin-6-yl]-1-methylpyrazol-5-yl]-6-ethylbenzonitrile
CID 156151719
2-[4-[4-(aminomethyl)-1-oxo-2H-phthalazin-6-yl]-1-methylpyrazol-5-yl]-3-fluorobenzonitrile
CID 156151722

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)benzene-1,2-dicarboxamide?
The IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)benzene-1,2-dicarboxamide (CID 144733159) is 3-(1,3-dimethylpyrazol-4-yl)benzene-1,2-dicarboxamide.
What is the SMILES notation for 3-(1,3-dimethylpyrazol-4-yl)benzene-1,2-dicarboxamide?
The canonical SMILES for 3-(1,3-dimethylpyrazol-4-yl)benzene-1,2-dicarboxamide is Cc1nn(C)cc1-c1cccc(C(N)=O)c1C(N)=O.
What is the InChIKey of 3-(1,3-dimethylpyrazol-4-yl)benzene-1,2-dicarboxamide?
The InChIKey is JWFNBEVBXLVLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-7-10(6-17(2)16-7)8-4-3-5-9(12(14)18)11(8)13(15)19/h3-6H,1-2H3,(H2,14,18)(H2,15,19).
What are the key properties of 3-(1,3-dimethylpyrazol-4-yl)benzene-1,2-dicarboxamide?
3-(1,3-dimethylpyrazol-4-yl)benzene-1,2-dicarboxamide has a molecular weight of 258.28 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylpyrazol-4-yl)benzene-1,2-dicarboxamide is sourced from PubChem (CID 144733159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).