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

C8H14N4O2 — CID 130123940

IUPAC3-(2-hydroxypropyl)-5-methyl-1H-pyrazole-4-carbohydrazide
SMILESCc1[nH]nc(CC(C)O)c1C(=O)NN
InChIInChI=1S/C8H14N4O2/c1-4(13)3-6-7(8(14)10-9)5(2)11-12-6/h4,13H,3,9H2,1-2H3,(H,10,14)(H,11,12)
InChIKeyFMGHMKGNCXAHHC-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.76
Rot. Bonds3

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

3-(2-hydroxypropyl)-5-methyl-1H-pyrazole-4-carbohydrazide (PubChem CID 130123940) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 3-(2-hydroxypropyl)-5-methyl-1H-pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name3-(2-hydroxypropyl)-5-methyl-1H-pyrazole-4-carbohydrazide
PubChem CID130123940
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name3-(2-hydroxypropyl)-5-methyl-1H-pyrazole-4-carbohydrazide
SMILESCc1[nH]nc(CC(C)O)c1C(=O)NN
InChIInChI=1S/C8H14N4O2/c1-4(13)3-6-7(8(14)10-9)5(2)11-12-6/h4,13H,3,9H2,1-2H3,(H,10,14)(H,11,12)
InChIKeyFMGHMKGNCXAHHC-UHFFFAOYSA-N
XLogP-0.76
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-(2-hydroxypropyl)-5-methyl-1H-pyrazole-4-carbohydrazide?
The IUPAC name of 3-(2-hydroxypropyl)-5-methyl-1H-pyrazole-4-carbohydrazide (CID 130123940) is 3-(2-hydroxypropyl)-5-methyl-1H-pyrazole-4-carbohydrazide.
What is the SMILES notation for 3-(2-hydroxypropyl)-5-methyl-1H-pyrazole-4-carbohydrazide?
The canonical SMILES for 3-(2-hydroxypropyl)-5-methyl-1H-pyrazole-4-carbohydrazide is Cc1[nH]nc(CC(C)O)c1C(=O)NN.
What is the InChIKey of 3-(2-hydroxypropyl)-5-methyl-1H-pyrazole-4-carbohydrazide?
The InChIKey is FMGHMKGNCXAHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-4(13)3-6-7(8(14)10-9)5(2)11-12-6/h4,13H,3,9H2,1-2H3,(H,10,14)(H,11,12).
What are the key properties of 3-(2-hydroxypropyl)-5-methyl-1H-pyrazole-4-carbohydrazide?
3-(2-hydroxypropyl)-5-methyl-1H-pyrazole-4-carbohydrazide has a molecular weight of 198.23 g/mol, XLogP of -0.76, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropyl)-5-methyl-1H-pyrazole-4-carbohydrazide is sourced from PubChem (CID 130123940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).