N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(2-methoxyphenyl)propanehydrazide

C17H22N4O3 — CID 9416512

IUPACN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(2-methoxyphenyl)propanehydrazide
SMILESCOc1ccccc1CCC(=O)NNC(=O)Cn1nc(C)cc1C
InChIInChI=1S/C17H22N4O3/c1-12-10-13(2)21(20-12)11-17(23)19-18-16(22)9-8-14-6-4-5-7-15(14)24-3/h4-7,10H,8-9,11H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyBULBFRBPTSUJLJ-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.29
Rot. Bonds6

About N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(2-methoxyphenyl)propanehydrazide

N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(2-methoxyphenyl)propanehydrazide (PubChem CID 9416512) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(2-methoxyphenyl)propanehydrazide.

Molecular Properties

Compound NameN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(2-methoxyphenyl)propanehydrazide
PubChem CID9416512
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(2-methoxyphenyl)propanehydrazide
SMILESCOc1ccccc1CCC(=O)NNC(=O)Cn1nc(C)cc1C
InChIInChI=1S/C17H22N4O3/c1-12-10-13(2)21(20-12)11-17(23)19-18-16(22)9-8-14-6-4-5-7-15(14)24-3/h4-7,10H,8-9,11H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyBULBFRBPTSUJLJ-UHFFFAOYSA-N
XLogP1.29
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(2-methoxyphenyl)propanehydrazide?
The IUPAC name of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(2-methoxyphenyl)propanehydrazide (CID 9416512) is N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(2-methoxyphenyl)propanehydrazide.
What is the SMILES notation for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(2-methoxyphenyl)propanehydrazide?
The canonical SMILES for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(2-methoxyphenyl)propanehydrazide is COc1ccccc1CCC(=O)NNC(=O)Cn1nc(C)cc1C.
What is the InChIKey of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(2-methoxyphenyl)propanehydrazide?
The InChIKey is BULBFRBPTSUJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-12-10-13(2)21(20-12)11-17(23)19-18-16(22)9-8-14-6-4-5-7-15(14)24-3/h4-7,10H,8-9,11H2,1-3H3,(H,18,22)(H,19,23).
What are the key properties of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(2-methoxyphenyl)propanehydrazide?
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(2-methoxyphenyl)propanehydrazide has a molecular weight of 330.39 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(2-methoxyphenyl)propanehydrazide is sourced from PubChem (CID 9416512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).