2-[(2-chlorophenyl)methoxy]-N'-(4-cyano-1,3-dimethylpyrazol-5-yl)acetohydrazide

C15H16ClN5O2 — CID 155964304

IUPAC2-[(2-chlorophenyl)methoxy]-N'-(4-cyano-1,3-dimethylpyrazol-5-yl)acetohydrazide
SMILESCc1nn(C)c(NNC(=O)COCc2ccccc2Cl)c1C#N
InChIInChI=1S/C15H16ClN5O2/c1-10-12(7-17)15(21(2)20-10)19-18-14(22)9-23-8-11-5-3-4-6-13(11)16/h3-6,19H,8-9H2,1-2H3,(H,18,22)
InChIKeySPTFUDIXRIXVPN-UHFFFAOYSA-N
MW333.78 g/mol
LogP1.91
Rot. Bonds6

About 2-[(2-chlorophenyl)methoxy]-N'-(4-cyano-1,3-dimethylpyrazol-5-yl)acetohydrazide

2-[(2-chlorophenyl)methoxy]-N'-(4-cyano-1,3-dimethylpyrazol-5-yl)acetohydrazide (PubChem CID 155964304) has the molecular formula C15H16ClN5O2 and a molecular weight of 333.78 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methoxy]-N'-(4-cyano-1,3-dimethylpyrazol-5-yl)acetohydrazide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methoxy]-N'-(4-cyano-1,3-dimethylpyrazol-5-yl)acetohydrazide
PubChem CID155964304
Molecular FormulaC15H16ClN5O2
Molecular Weight333.78 g/mol
Exact Mass333.10
IUPAC Name2-[(2-chlorophenyl)methoxy]-N'-(4-cyano-1,3-dimethylpyrazol-5-yl)acetohydrazide
SMILESCc1nn(C)c(NNC(=O)COCc2ccccc2Cl)c1C#N
InChIInChI=1S/C15H16ClN5O2/c1-10-12(7-17)15(21(2)20-10)19-18-14(22)9-23-8-11-5-3-4-6-13(11)16/h3-6,19H,8-9H2,1-2H3,(H,18,22)
InChIKeySPTFUDIXRIXVPN-UHFFFAOYSA-N
XLogP1.91
TPSA91.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methoxy]-N'-(4-cyano-1,3-dimethylpyrazol-5-yl)acetohydrazide?
The IUPAC name of 2-[(2-chlorophenyl)methoxy]-N'-(4-cyano-1,3-dimethylpyrazol-5-yl)acetohydrazide (CID 155964304) is 2-[(2-chlorophenyl)methoxy]-N'-(4-cyano-1,3-dimethylpyrazol-5-yl)acetohydrazide.
What is the SMILES notation for 2-[(2-chlorophenyl)methoxy]-N'-(4-cyano-1,3-dimethylpyrazol-5-yl)acetohydrazide?
The canonical SMILES for 2-[(2-chlorophenyl)methoxy]-N'-(4-cyano-1,3-dimethylpyrazol-5-yl)acetohydrazide is Cc1nn(C)c(NNC(=O)COCc2ccccc2Cl)c1C#N.
What is the InChIKey of 2-[(2-chlorophenyl)methoxy]-N'-(4-cyano-1,3-dimethylpyrazol-5-yl)acetohydrazide?
The InChIKey is SPTFUDIXRIXVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O2/c1-10-12(7-17)15(21(2)20-10)19-18-14(22)9-23-8-11-5-3-4-6-13(11)16/h3-6,19H,8-9H2,1-2H3,(H,18,22).
What are the key properties of 2-[(2-chlorophenyl)methoxy]-N'-(4-cyano-1,3-dimethylpyrazol-5-yl)acetohydrazide?
2-[(2-chlorophenyl)methoxy]-N'-(4-cyano-1,3-dimethylpyrazol-5-yl)acetohydrazide has a molecular weight of 333.78 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methoxy]-N'-(4-cyano-1,3-dimethylpyrazol-5-yl)acetohydrazide is sourced from PubChem (CID 155964304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).