3-[5-(4-butylphenyl)-1H-pyrazol-4-yl]propanehydrazide

C16H22N4O — CID 15728883

IUPAC3-[5-(4-butylphenyl)-1H-pyrazol-4-yl]propanehydrazide
SMILESCCCCc1ccc(-c2[nH]ncc2CCC(=O)NN)cc1
InChIInChI=1S/C16H22N4O/c1-2-3-4-12-5-7-13(8-6-12)16-14(11-18-20-16)9-10-15(21)19-17/h5-8,11H,2-4,9-10,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyDXGMUBNMDOHKON-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.34
Rot. Bonds7

About 3-[5-(4-butylphenyl)-1H-pyrazol-4-yl]propanehydrazide

3-[5-(4-butylphenyl)-1H-pyrazol-4-yl]propanehydrazide (PubChem CID 15728883) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-[5-(4-butylphenyl)-1H-pyrazol-4-yl]propanehydrazide.

Molecular Properties

Compound Name3-[5-(4-butylphenyl)-1H-pyrazol-4-yl]propanehydrazide
PubChem CID15728883
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name3-[5-(4-butylphenyl)-1H-pyrazol-4-yl]propanehydrazide
SMILESCCCCc1ccc(-c2[nH]ncc2CCC(=O)NN)cc1
InChIInChI=1S/C16H22N4O/c1-2-3-4-12-5-7-13(8-6-12)16-14(11-18-20-16)9-10-15(21)19-17/h5-8,11H,2-4,9-10,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyDXGMUBNMDOHKON-UHFFFAOYSA-N
XLogP2.34
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[5-(4-hexylphenyl)-1H-pyrazol-4-yl]propanoate
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CID 115630203
2-[5-(4-heptylphenyl)-1H-pyrazol-4-yl]propanoic acid
CID 19881316
3-(5-phenyl-1H-pyrazol-4-yl)propanoic acid
CID 23006026
4-butylaniline;formaldehyde;5-phenyl-1H-pyrazol-4-amine
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2-(4-butylphenyl)-N-methoxyacetamide
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5-(4-propylphenyl)-1H-pyrazole-4-carbaldehyde
CID 28948694
2-(4-butylphenyl)-N-cyanoacetamide
CID 79195321
4-butyl-1H-pyrazole-5-carboxamide
CID 141158124
2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]-N-propylacetamide
CID 60663784
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine
CID 4590247
methyl 3-(5-pyridin-3-yl-1H-pyrazol-4-yl)propanoate
CID 121212172

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-butylphenyl)-1H-pyrazol-4-yl]propanehydrazide?
The IUPAC name of 3-[5-(4-butylphenyl)-1H-pyrazol-4-yl]propanehydrazide (CID 15728883) is 3-[5-(4-butylphenyl)-1H-pyrazol-4-yl]propanehydrazide.
What is the SMILES notation for 3-[5-(4-butylphenyl)-1H-pyrazol-4-yl]propanehydrazide?
The canonical SMILES for 3-[5-(4-butylphenyl)-1H-pyrazol-4-yl]propanehydrazide is CCCCc1ccc(-c2[nH]ncc2CCC(=O)NN)cc1.
What is the InChIKey of 3-[5-(4-butylphenyl)-1H-pyrazol-4-yl]propanehydrazide?
The InChIKey is DXGMUBNMDOHKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-3-4-12-5-7-13(8-6-12)16-14(11-18-20-16)9-10-15(21)19-17/h5-8,11H,2-4,9-10,17H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 3-[5-(4-butylphenyl)-1H-pyrazol-4-yl]propanehydrazide?
3-[5-(4-butylphenyl)-1H-pyrazol-4-yl]propanehydrazide has a molecular weight of 286.38 g/mol, XLogP of 2.34, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-butylphenyl)-1H-pyrazol-4-yl]propanehydrazide is sourced from PubChem (CID 15728883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).