5-(2,2-difluorocyclopropyl)-1H-pyrazole-3-carbohydrazide

C7H8F2N4O — CID 166803138

IUPAC5-(2,2-difluorocyclopropyl)-1H-pyrazole-3-carbohydrazide
SMILESNNC(=O)c1cc(C2CC2(F)F)[nH]n1
InChIInChI=1S/C7H8F2N4O/c8-7(9)2-3(7)4-1-5(13-12-4)6(14)11-10/h1,3H,2,10H2,(H,11,14)(H,12,13)
InChIKeySWDMOSVNOBBDHD-UHFFFAOYSA-N
MW202.16 g/mol
LogP0.14
Rot. Bonds2

About 5-(2,2-difluorocyclopropyl)-1H-pyrazole-3-carbohydrazide

5-(2,2-difluorocyclopropyl)-1H-pyrazole-3-carbohydrazide (PubChem CID 166803138) has the molecular formula C7H8F2N4O and a molecular weight of 202.16 g/mol. Its IUPAC name is 5-(2,2-difluorocyclopropyl)-1H-pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name5-(2,2-difluorocyclopropyl)-1H-pyrazole-3-carbohydrazide
PubChem CID166803138
Molecular FormulaC7H8F2N4O
Molecular Weight202.16 g/mol
Exact Mass202.07
IUPAC Name5-(2,2-difluorocyclopropyl)-1H-pyrazole-3-carbohydrazide
SMILESNNC(=O)c1cc(C2CC2(F)F)[nH]n1
InChIInChI=1S/C7H8F2N4O/c8-7(9)2-3(7)4-1-5(13-12-4)6(14)11-10/h1,3H,2,10H2,(H,11,14)(H,12,13)
InChIKeySWDMOSVNOBBDHD-UHFFFAOYSA-N
XLogP0.14
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 50.14
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 5-(2,2-difluorocyclopropyl)-1H-pyrazole-3-carbohydrazide?
The IUPAC name of 5-(2,2-difluorocyclopropyl)-1H-pyrazole-3-carbohydrazide (CID 166803138) is 5-(2,2-difluorocyclopropyl)-1H-pyrazole-3-carbohydrazide.
What is the SMILES notation for 5-(2,2-difluorocyclopropyl)-1H-pyrazole-3-carbohydrazide?
The canonical SMILES for 5-(2,2-difluorocyclopropyl)-1H-pyrazole-3-carbohydrazide is NNC(=O)c1cc(C2CC2(F)F)[nH]n1.
What is the InChIKey of 5-(2,2-difluorocyclopropyl)-1H-pyrazole-3-carbohydrazide?
The InChIKey is SWDMOSVNOBBDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N4O/c8-7(9)2-3(7)4-1-5(13-12-4)6(14)11-10/h1,3H,2,10H2,(H,11,14)(H,12,13).
What are the key properties of 5-(2,2-difluorocyclopropyl)-1H-pyrazole-3-carbohydrazide?
5-(2,2-difluorocyclopropyl)-1H-pyrazole-3-carbohydrazide has a molecular weight of 202.16 g/mol, XLogP of 0.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluorocyclopropyl)-1H-pyrazole-3-carbohydrazide is sourced from PubChem (CID 166803138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).