5-methyl-3-(2-pentoxyphenyl)-1H-pyrazole-4-carbohydrazide

C16H22N4O2 — CID 54851417

IUPAC5-methyl-3-(2-pentoxyphenyl)-1H-pyrazole-4-carbohydrazide
SMILESCCCCCOc1ccccc1-c1n[nH]c(C)c1C(=O)NN
InChIInChI=1S/C16H22N4O2/c1-3-4-7-10-22-13-9-6-5-8-12(13)15-14(16(21)18-17)11(2)19-20-15/h5-6,8-9H,3-4,7,10,17H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyXOEHCGFKVUWWSR-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.56
Rot. Bonds7

About 5-methyl-3-(2-pentoxyphenyl)-1H-pyrazole-4-carbohydrazide

5-methyl-3-(2-pentoxyphenyl)-1H-pyrazole-4-carbohydrazide (PubChem CID 54851417) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 5-methyl-3-(2-pentoxyphenyl)-1H-pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name5-methyl-3-(2-pentoxyphenyl)-1H-pyrazole-4-carbohydrazide
PubChem CID54851417
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name5-methyl-3-(2-pentoxyphenyl)-1H-pyrazole-4-carbohydrazide
SMILESCCCCCOc1ccccc1-c1n[nH]c(C)c1C(=O)NN
InChIInChI=1S/C16H22N4O2/c1-3-4-7-10-22-13-9-6-5-8-12(13)15-14(16(21)18-17)11(2)19-20-15/h5-6,8-9H,3-4,7,10,17H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyXOEHCGFKVUWWSR-UHFFFAOYSA-N
XLogP2.56
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-(2-ethoxyphenyl)-5-methyl-1H-pyrazole-4-carbohydrazide
CID 54851501
2-pentoxybenzohydrazide
CID 54793215
3-(2-butoxyphenyl)-N-hydroxy-1H-pyrazole-5-carboxamide
CID 71601259
2-amino-4-(2-hexoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
CID 54851875
3-(3-bromo-4-ethoxyphenyl)-5-methyl-1H-pyrazole-4-carbohydrazide
CID 54850904
[5-methyl-3-[2-(2-phenylethoxy)phenyl]-1H-pyrazol-4-yl]methanamine
CID 54850620
2-amino-4-methyl-6-(2-propoxyphenyl)pyrimidine-5-carboxylic acid
CID 54851462
[3-(2-hexoxyphenyl)-1H-pyrazol-5-yl]methanol
CID 54847198
N-[[3-(2-hexoxyphenyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 54847214
2-(2-heptoxyphenyl)benzoic acid
CID 70433575
4-(2-nonoxyphenyl)benzamide
CID 67822371
N-methyl-1-[3-(2-pentoxyphenyl)-1H-pyrazol-5-yl]methanamine
CID 54847408

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-pentoxyphenyl)-1H-pyrazole-4-carbohydrazide?
The IUPAC name of 5-methyl-3-(2-pentoxyphenyl)-1H-pyrazole-4-carbohydrazide (CID 54851417) is 5-methyl-3-(2-pentoxyphenyl)-1H-pyrazole-4-carbohydrazide.
What is the SMILES notation for 5-methyl-3-(2-pentoxyphenyl)-1H-pyrazole-4-carbohydrazide?
The canonical SMILES for 5-methyl-3-(2-pentoxyphenyl)-1H-pyrazole-4-carbohydrazide is CCCCCOc1ccccc1-c1n[nH]c(C)c1C(=O)NN.
What is the InChIKey of 5-methyl-3-(2-pentoxyphenyl)-1H-pyrazole-4-carbohydrazide?
The InChIKey is XOEHCGFKVUWWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-3-4-7-10-22-13-9-6-5-8-12(13)15-14(16(21)18-17)11(2)19-20-15/h5-6,8-9H,3-4,7,10,17H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 5-methyl-3-(2-pentoxyphenyl)-1H-pyrazole-4-carbohydrazide?
5-methyl-3-(2-pentoxyphenyl)-1H-pyrazole-4-carbohydrazide has a molecular weight of 302.38 g/mol, XLogP of 2.56, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-pentoxyphenyl)-1H-pyrazole-4-carbohydrazide is sourced from PubChem (CID 54851417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).