2-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]acetohydrazide

C12H13ClN4O — CID 105352212

IUPAC2-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccc(Cn2cc(Cl)cn2)cc1
InChIInChI=1S/C12H13ClN4O/c13-11-6-15-17(8-11)7-10-3-1-9(2-4-10)5-12(18)16-14/h1-4,6,8H,5,7,14H2,(H,16,18)
InChIKeyQSLDZPLRNIPXDY-UHFFFAOYSA-N
MW264.72 g/mol
LogP1.12
Rot. Bonds4

About 2-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]acetohydrazide

2-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]acetohydrazide (PubChem CID 105352212) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 2-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]acetohydrazide
PubChem CID105352212
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name2-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccc(Cn2cc(Cl)cn2)cc1
InChIInChI=1S/C12H13ClN4O/c13-11-6-15-17(8-11)7-10-3-1-9(2-4-10)5-12(18)16-14/h1-4,6,8H,5,7,14H2,(H,16,18)
InChIKeyQSLDZPLRNIPXDY-UHFFFAOYSA-N
XLogP1.12
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

3-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carbohydrazide
CID 63641106
1-(4-chloropyrazol-1-yl)-3-phenylpropan-2-one
CID 14882325
N-(1-benzylpyrazol-4-yl)-2-(4-chloropyrazol-1-yl)acetamide
CID 19397538
4-[(4-chloropyrazol-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 54909727
3-(4-chloropyrazol-1-yl)-2,2-dimethylpropanehydrazide
CID 79631561
3-(4-chloropyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19410011
[5-[(4-chloropyrazol-1-yl)methyl]-2-fluorophenyl]methanamine
CID 107878770
1-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 105352263
N-carbamoyl-2-(4-chloropyrazol-1-yl)acetamide
CID 130693998
1-benzylpyrazole-4-carbohydrazide
CID 83386286
2-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]acetohydrazide
CID 105352183
1-amino-3-(4-chloropyrazol-1-yl)propan-2-one
CID 84654781

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]acetohydrazide?
The IUPAC name of 2-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]acetohydrazide (CID 105352212) is 2-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]acetohydrazide is NNC(=O)Cc1ccc(Cn2cc(Cl)cn2)cc1.
What is the InChIKey of 2-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]acetohydrazide?
The InChIKey is QSLDZPLRNIPXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c13-11-6-15-17(8-11)7-10-3-1-9(2-4-10)5-12(18)16-14/h1-4,6,8H,5,7,14H2,(H,16,18).
What are the key properties of 2-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]acetohydrazide?
2-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]acetohydrazide has a molecular weight of 264.72 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]acetohydrazide is sourced from PubChem (CID 105352212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).