2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetohydrazide

C9H11ClF2N4O — CID 7017676

IUPAC2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetohydrazide
SMILESNNC(=O)Cn1nc(C(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C9H11ClF2N4O/c10-6-7(9(11)12)15-16(3-5(17)14-13)8(6)4-1-2-4/h4,9H,1-3,13H2,(H,14,17)
InChIKeyVVRVLEHVSUPVSL-UHFFFAOYSA-N
MW264.66 g/mol
LogP1.34
Rot. Bonds4

About 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetohydrazide

2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetohydrazide (PubChem CID 7017676) has the molecular formula C9H11ClF2N4O and a molecular weight of 264.66 g/mol. Its IUPAC name is 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetohydrazide.

Molecular Properties

Compound Name2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetohydrazide
PubChem CID7017676
Molecular FormulaC9H11ClF2N4O
Molecular Weight264.66 g/mol
Exact Mass264.06
IUPAC Name2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetohydrazide
SMILESNNC(=O)Cn1nc(C(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C9H11ClF2N4O/c10-6-7(9(11)12)15-16(3-5(17)14-13)8(6)4-1-2-4/h4,9H,1-3,13H2,(H,14,17)
InChIKeyVVRVLEHVSUPVSL-UHFFFAOYSA-N
XLogP1.34
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.66
LogP ≤ 51.34
H-Bond Donors ≤ 52
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 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetohydrazide?
The IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetohydrazide (CID 7017676) is 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetohydrazide.
What is the SMILES notation for 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetohydrazide?
The canonical SMILES for 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetohydrazide is NNC(=O)Cn1nc(C(F)F)c(Cl)c1C1CC1.
What is the InChIKey of 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetohydrazide?
The InChIKey is VVRVLEHVSUPVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF2N4O/c10-6-7(9(11)12)15-16(3-5(17)14-13)8(6)4-1-2-4/h4,9H,1-3,13H2,(H,14,17).
What are the key properties of 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetohydrazide?
2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetohydrazide has a molecular weight of 264.66 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetohydrazide is sourced from PubChem (CID 7017676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).