4-N-(1H-pyrazol-5-yl)benzene-1,4-dicarboxamide

C11H10N4O2 — CID 61393914

IUPAC4-N-(1H-pyrazol-5-yl)benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)Nc2ccn[nH]2)cc1
InChIInChI=1S/C11H10N4O2/c12-10(16)7-1-3-8(4-2-7)11(17)14-9-5-6-13-15-9/h1-6H,(H2,12,16)(H2,13,14,15,17)
InChIKeyQELSQPAGRIFICT-UHFFFAOYSA-N
MW230.23 g/mol
LogP0.76
Rot. Bonds3

About 4-N-(1H-pyrazol-5-yl)benzene-1,4-dicarboxamide

4-N-(1H-pyrazol-5-yl)benzene-1,4-dicarboxamide (PubChem CID 61393914) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 4-N-(1H-pyrazol-5-yl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(1H-pyrazol-5-yl)benzene-1,4-dicarboxamide
PubChem CID61393914
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name4-N-(1H-pyrazol-5-yl)benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)Nc2ccn[nH]2)cc1
InChIInChI=1S/C11H10N4O2/c12-10(16)7-1-3-8(4-2-7)11(17)14-9-5-6-13-15-9/h1-6H,(H2,12,16)(H2,13,14,15,17)
InChIKeyQELSQPAGRIFICT-UHFFFAOYSA-N
XLogP0.76
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-pyrazol-5-yl)benzamide
CID 23298723
4-(chloromethyl)-N-(1H-pyrazol-5-yl)benzamide
CID 61394435
3,4-dihydroxy-N-(1H-pyrazol-5-yl)benzamide
CID 103956763
N-(4-carbamoylphenyl)-1H-pyrazole-5-carboxamide
CID 19614759
4-[(dimethylamino)methyl]-N-(1H-pyrazol-5-yl)benzamide
CID 61393919
N-(1H-pyrazol-5-yl)naphthalene-2-carboxamide
CID 61393106
2-N-hydroxy-7-N-(1H-pyrazol-5-yl)naphthalene-2,7-dicarboxamide
CID 25256604
4-butoxy-N-(1H-pyrazol-5-yl)benzamide
CID 61393698
3-chloro-N-(1H-pyrazol-5-yl)propanamide
CID 61394394
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(1H-pyrazol-5-yl)benzamide
CID 47083217
4-[4-(1H-pyrazol-5-yl)phenyl]benzamide
CID 56703692
N-(1H-pyrazol-5-yl)-1,3-benzothiazole-5-carboxamide
CID 39834270

Frequently Asked Questions

What is the IUPAC name of 4-N-(1H-pyrazol-5-yl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(1H-pyrazol-5-yl)benzene-1,4-dicarboxamide (CID 61393914) is 4-N-(1H-pyrazol-5-yl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(1H-pyrazol-5-yl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(1H-pyrazol-5-yl)benzene-1,4-dicarboxamide is NC(=O)c1ccc(C(=O)Nc2ccn[nH]2)cc1.
What is the InChIKey of 4-N-(1H-pyrazol-5-yl)benzene-1,4-dicarboxamide?
The InChIKey is QELSQPAGRIFICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c12-10(16)7-1-3-8(4-2-7)11(17)14-9-5-6-13-15-9/h1-6H,(H2,12,16)(H2,13,14,15,17).
What are the key properties of 4-N-(1H-pyrazol-5-yl)benzene-1,4-dicarboxamide?
4-N-(1H-pyrazol-5-yl)benzene-1,4-dicarboxamide has a molecular weight of 230.23 g/mol, XLogP of 0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1H-pyrazol-5-yl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 61393914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).