1-(difluoromethyl)pyrazole-3-carbohydrazide

C5H6F2N4O — CID 7015917

IUPAC1-(difluoromethyl)pyrazole-3-carbohydrazide
SMILESNNC(=O)c1ccn(C(F)F)n1
InChIInChI=1S/C5H6F2N4O/c6-5(7)11-2-1-3(10-11)4(12)9-8/h1-2,5H,8H2,(H,9,12)
InChIKeyZSBPCYWVAJGMIS-UHFFFAOYSA-N
MW176.13 g/mol
LogP-0.12
Rot. Bonds2

About 1-(difluoromethyl)pyrazole-3-carbohydrazide

1-(difluoromethyl)pyrazole-3-carbohydrazide (PubChem CID 7015917) has the molecular formula C5H6F2N4O and a molecular weight of 176.13 g/mol. Its IUPAC name is 1-(difluoromethyl)pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name1-(difluoromethyl)pyrazole-3-carbohydrazide
PubChem CID7015917
Molecular FormulaC5H6F2N4O
Molecular Weight176.13 g/mol
Exact Mass176.05
IUPAC Name1-(difluoromethyl)pyrazole-3-carbohydrazide
SMILESNNC(=O)c1ccn(C(F)F)n1
InChIInChI=1S/C5H6F2N4O/c6-5(7)11-2-1-3(10-11)4(12)9-8/h1-2,5H,8H2,(H,9,12)
InChIKeyZSBPCYWVAJGMIS-UHFFFAOYSA-N
XLogP-0.12
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.13
LogP ≤ 5-0.12
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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Related Compounds

4H,5H-pyrazolo(1,5-d)(1,2,4)triazin-4-one
CID 585782
Pyrazolo[1,5-a]pyrazin-4-ol
CID 58157139
1-Methyl-1H-pyrazole-3-carboxamide
CID 13464586
1-methyl-1H-pyrazole-5-carboxamide
CID 7020587
1-methyl-1H-pyrazole-3-carbohydrazide
CID 955611
1H-Pyrazole-3-carboxaldehyde, 1-(2,2,2-trifluoroethyl)-
CID 54556375
1-(2,2-difluoroethyl)-1H-pyrazole-3-carbaldehyde
CID 60136487
1H-Pyrazole-3-carboxaldehyde, 1-(difluoromethyl)-
CID 71758119
4-iodo-1-methyl-N'-[(1-methyl-1H-pyrazol-5-yl)carbonyl]-1H-pyrazole-3-carbohydrazide
CID 1221769
(3-Trifluoromethyl-pyrazol-1-yl)-acetic acid hydrazide
CID 2064142
1-propyl-1H-pyrazole-3-carboxamide
CID 21658321
1-ethyl-1H-pyrazole-3-carboxamide
CID 7017671

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)pyrazole-3-carbohydrazide?
The IUPAC name of 1-(difluoromethyl)pyrazole-3-carbohydrazide (CID 7015917) is 1-(difluoromethyl)pyrazole-3-carbohydrazide.
What is the SMILES notation for 1-(difluoromethyl)pyrazole-3-carbohydrazide?
The canonical SMILES for 1-(difluoromethyl)pyrazole-3-carbohydrazide is NNC(=O)c1ccn(C(F)F)n1.
What is the InChIKey of 1-(difluoromethyl)pyrazole-3-carbohydrazide?
The InChIKey is ZSBPCYWVAJGMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N4O/c6-5(7)11-2-1-3(10-11)4(12)9-8/h1-2,5H,8H2,(H,9,12).
What are the key properties of 1-(difluoromethyl)pyrazole-3-carbohydrazide?
1-(difluoromethyl)pyrazole-3-carbohydrazide has a molecular weight of 176.13 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)pyrazole-3-carbohydrazide is sourced from PubChem (CID 7015917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).