1,3,5-trimethyl-N'-[2-(4-methylphenoxy)acetyl]pyrazole-4-carbohydrazide

C16H20N4O3 — CID 78836123

IUPAC1,3,5-trimethyl-N'-[2-(4-methylphenoxy)acetyl]pyrazole-4-carbohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C16H20N4O3/c1-10-5-7-13(8-6-10)23-9-14(21)17-18-16(22)15-11(2)19-20(4)12(15)3/h5-8H,9H2,1-4H3,(H,17,21)(H,18,22)
InChIKeyXICNZKFTCPBKOS-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.19
Rot. Bonds4

About 1,3,5-trimethyl-N'-[2-(4-methylphenoxy)acetyl]pyrazole-4-carbohydrazide

1,3,5-trimethyl-N'-[2-(4-methylphenoxy)acetyl]pyrazole-4-carbohydrazide (PubChem CID 78836123) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1,3,5-trimethyl-N'-[2-(4-methylphenoxy)acetyl]pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name1,3,5-trimethyl-N'-[2-(4-methylphenoxy)acetyl]pyrazole-4-carbohydrazide
PubChem CID78836123
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name1,3,5-trimethyl-N'-[2-(4-methylphenoxy)acetyl]pyrazole-4-carbohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C16H20N4O3/c1-10-5-7-13(8-6-10)23-9-14(21)17-18-16(22)15-11(2)19-20(4)12(15)3/h5-8H,9H2,1-4H3,(H,17,21)(H,18,22)
InChIKeyXICNZKFTCPBKOS-UHFFFAOYSA-N
XLogP1.19
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.19
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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Related Compounds

3-tert-butyl-1-methyl-N'-[2-(4-methylphenoxy)acetyl]pyrazole-5-carbohydrazide
CID 78893331
2,6-dimethyl-N'-[2-(4-methylphenoxy)acetyl]pyridine-3-carbohydrazide
CID 78895668
N'-[2-(4-methylphenoxy)acetyl]propanehydrazide
CID 4635692
N'-benzoyl-1,3,5-trimethylpyrazole-4-carbohydrazide
CID 24672088
2-(4-methoxyphenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide
CID 8822984
N'-[2-(4-methylphenoxy)acetyl]pyridine-3-carbohydrazide
CID 839627
[[2-(4-methylphenoxy)acetyl]amino]thiourea
CID 11020991
N'-[2-(4-methylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide
CID 4925883
5-chloro-2-iodo-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 78873426
N'-[2-(4-methylphenoxy)acetyl]-2-phenylacetohydrazide
CID 968398
5-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 33254001
2-(4-methylphenoxy)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]acetamide
CID 90515704

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N'-[2-(4-methylphenoxy)acetyl]pyrazole-4-carbohydrazide?
The IUPAC name of 1,3,5-trimethyl-N'-[2-(4-methylphenoxy)acetyl]pyrazole-4-carbohydrazide (CID 78836123) is 1,3,5-trimethyl-N'-[2-(4-methylphenoxy)acetyl]pyrazole-4-carbohydrazide.
What is the SMILES notation for 1,3,5-trimethyl-N'-[2-(4-methylphenoxy)acetyl]pyrazole-4-carbohydrazide?
The canonical SMILES for 1,3,5-trimethyl-N'-[2-(4-methylphenoxy)acetyl]pyrazole-4-carbohydrazide is Cc1ccc(OCC(=O)NNC(=O)c2c(C)nn(C)c2C)cc1.
What is the InChIKey of 1,3,5-trimethyl-N'-[2-(4-methylphenoxy)acetyl]pyrazole-4-carbohydrazide?
The InChIKey is XICNZKFTCPBKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-10-5-7-13(8-6-10)23-9-14(21)17-18-16(22)15-11(2)19-20(4)12(15)3/h5-8H,9H2,1-4H3,(H,17,21)(H,18,22).
What are the key properties of 1,3,5-trimethyl-N'-[2-(4-methylphenoxy)acetyl]pyrazole-4-carbohydrazide?
1,3,5-trimethyl-N'-[2-(4-methylphenoxy)acetyl]pyrazole-4-carbohydrazide has a molecular weight of 316.36 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N'-[2-(4-methylphenoxy)acetyl]pyrazole-4-carbohydrazide is sourced from PubChem (CID 78836123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).