1-[[2-(hydrazinecarbonyl)phenyl]methyl]pyrazole-4-carboxamide

C12H13N5O2 — CID 63577990

IUPAC1-[[2-(hydrazinecarbonyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESNNC(=O)c1ccccc1Cn1cc(C(N)=O)cn1
InChIInChI=1S/C12H13N5O2/c13-11(18)9-5-15-17(7-9)6-8-3-1-2-4-10(8)12(19)16-14/h1-5,7H,6,14H2,(H2,13,18)(H,16,19)
InChIKeyWWRAHTQZTBPGAO-UHFFFAOYSA-N
MW259.27 g/mol
LogP-0.37
Rot. Bonds4

About 1-[[2-(hydrazinecarbonyl)phenyl]methyl]pyrazole-4-carboxamide

1-[[2-(hydrazinecarbonyl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 63577990) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 1-[[2-(hydrazinecarbonyl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[[2-(hydrazinecarbonyl)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID63577990
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name1-[[2-(hydrazinecarbonyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESNNC(=O)c1ccccc1Cn1cc(C(N)=O)cn1
InChIInChI=1S/C12H13N5O2/c13-11(18)9-5-15-17(7-9)6-8-3-1-2-4-10(8)12(19)16-14/h1-5,7H,6,14H2,(H2,13,18)(H,16,19)
InChIKeyWWRAHTQZTBPGAO-UHFFFAOYSA-N
XLogP-0.37
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(hydrazinecarbonyl)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[[2-(hydrazinecarbonyl)phenyl]methyl]pyrazole-4-carboxamide (CID 63577990) is 1-[[2-(hydrazinecarbonyl)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[[2-(hydrazinecarbonyl)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[[2-(hydrazinecarbonyl)phenyl]methyl]pyrazole-4-carboxamide is NNC(=O)c1ccccc1Cn1cc(C(N)=O)cn1.
What is the InChIKey of 1-[[2-(hydrazinecarbonyl)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is WWRAHTQZTBPGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c13-11(18)9-5-15-17(7-9)6-8-3-1-2-4-10(8)12(19)16-14/h1-5,7H,6,14H2,(H2,13,18)(H,16,19).
What are the key properties of 1-[[2-(hydrazinecarbonyl)phenyl]methyl]pyrazole-4-carboxamide?
1-[[2-(hydrazinecarbonyl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 259.27 g/mol, XLogP of -0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(hydrazinecarbonyl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 63577990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).