3-(3,5-dimethyl-1H-pyrazol-4-yl)propanehydrazide

C8H14N4O — CID 854345

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)propanehydrazide
SMILESCc1n[nH]c(C)c1CCC(=O)NN
InChIInChI=1S/C8H14N4O/c1-5-7(6(2)12-11-5)3-4-8(13)10-9/h3-4,9H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyNBQIROUFTRKVPR-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.05
Rot. Bonds3

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanehydrazide

3-(3,5-dimethyl-1H-pyrazol-4-yl)propanehydrazide (PubChem CID 854345) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanehydrazide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)propanehydrazide
PubChem CID854345
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)propanehydrazide
SMILESCc1n[nH]c(C)c1CCC(=O)NN
InChIInChI=1S/C8H14N4O/c1-5-7(6(2)12-11-5)3-4-8(13)10-9/h3-4,9H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyNBQIROUFTRKVPR-UHFFFAOYSA-N
XLogP-0.05
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.05
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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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanehydrazide?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanehydrazide (CID 854345) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanehydrazide.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanehydrazide?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanehydrazide is Cc1n[nH]c(C)c1CCC(=O)NN.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanehydrazide?
The InChIKey is NBQIROUFTRKVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-5-7(6(2)12-11-5)3-4-8(13)10-9/h3-4,9H2,1-2H3,(H,10,13)(H,11,12).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanehydrazide?
3-(3,5-dimethyl-1H-pyrazol-4-yl)propanehydrazide has a molecular weight of 182.23 g/mol, XLogP of -0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanehydrazide is sourced from PubChem (CID 854345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).