N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]cyclohexanecarbohydrazide

C20H26N4O2 — CID 9327240

IUPACN'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]cyclohexanecarbohydrazide
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)NNC(=O)C1CCCCC1
InChIInChI=1S/C20H26N4O2/c1-14-18(15(2)24(23-14)17-11-7-4-8-12-17)13-19(25)21-22-20(26)16-9-5-3-6-10-16/h4,7-8,11-12,16H,3,5-6,9-10,13H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyFNWBGPZFVUUICF-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.76
Rot. Bonds4

About N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]cyclohexanecarbohydrazide

N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]cyclohexanecarbohydrazide (PubChem CID 9327240) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]cyclohexanecarbohydrazide.

Molecular Properties

Compound NameN'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]cyclohexanecarbohydrazide
PubChem CID9327240
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]cyclohexanecarbohydrazide
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)NNC(=O)C1CCCCC1
InChIInChI=1S/C20H26N4O2/c1-14-18(15(2)24(23-14)17-11-7-4-8-12-17)13-19(25)21-22-20(26)16-9-5-3-6-10-16/h4,7-8,11-12,16H,3,5-6,9-10,13H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyFNWBGPZFVUUICF-UHFFFAOYSA-N
XLogP2.76
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9272967
N-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]cyclobutanecarboxamide
CID 110717356
1-tert-butyl-3-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]thiourea
CID 9425924
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9143283
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-prop-2-ynylacetamide
CID 46418937
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone
CID 119437515
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide
CID 39513536
N-(2,3-dihydro-1H-inden-1-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 18103852
(2R)-1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119370730
N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-2-pyrrol-1-ylbenzohydrazide
CID 9032199
3-amino-N-[[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579736
N-cyclopentyl-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 46489384

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]cyclohexanecarbohydrazide?
The IUPAC name of N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]cyclohexanecarbohydrazide (CID 9327240) is N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]cyclohexanecarbohydrazide.
What is the SMILES notation for N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]cyclohexanecarbohydrazide?
The canonical SMILES for N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]cyclohexanecarbohydrazide is Cc1nn(-c2ccccc2)c(C)c1CC(=O)NNC(=O)C1CCCCC1.
What is the InChIKey of N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]cyclohexanecarbohydrazide?
The InChIKey is FNWBGPZFVUUICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-14-18(15(2)24(23-14)17-11-7-4-8-12-17)13-19(25)21-22-20(26)16-9-5-3-6-10-16/h4,7-8,11-12,16H,3,5-6,9-10,13H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]cyclohexanecarbohydrazide?
N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]cyclohexanecarbohydrazide has a molecular weight of 354.45 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]cyclohexanecarbohydrazide is sourced from PubChem (CID 9327240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).