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

C9H10ClF3N4O — CID 7018508

IUPAC2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide
SMILESNNC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C9H10ClF3N4O/c10-6-7(4-1-2-4)17(3-5(18)15-14)16-8(6)9(11,12)13/h4H,1-3,14H2,(H,15,18)
InChIKeyDUHLWLNYIOTVQH-UHFFFAOYSA-N
MW282.65 g/mol
LogP1.42
Rot. Bonds3

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

2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide (PubChem CID 7018508) has the molecular formula C9H10ClF3N4O and a molecular weight of 282.65 g/mol. Its IUPAC name is 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide.

Molecular Properties

Compound Name2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide
PubChem CID7018508
Molecular FormulaC9H10ClF3N4O
Molecular Weight282.65 g/mol
Exact Mass282.05
IUPAC Name2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide
SMILESNNC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C9H10ClF3N4O/c10-6-7(4-1-2-4)17(3-5(18)15-14)16-8(6)9(11,12)13/h4H,1-3,14H2,(H,15,18)
InChIKeyDUHLWLNYIOTVQH-UHFFFAOYSA-N
XLogP1.42
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.65
LogP ≤ 51.42
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

2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(morpholin-4-yl)acetamide
CID 4767811
3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(morpholin-4-yl)propanamide
CID 4768096
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(morpholin-4-yl)propanamide
CID 4768372
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide
CID 4770913
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetohydrazide
CID 7018464
N-Allyl-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]acetamide
CID 4768374
2-[4-Chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]-N-[3-(2-oxo-1-pyrrolidinyl)propyl]acetamide
CID 4768388
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-cyclopentylacetamide
CID 4768438
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[3-(dimethylamino)propyl]acetamide
CID 4768572
N-(Tert-butyl)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]propanamide
CID 4768984
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide
CID 4769269
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-cyclopentylpropanamide
CID 4769815

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide?
The IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide (CID 7018508) is 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide.
What is the SMILES notation for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide?
The canonical SMILES for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide is NNC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C1CC1.
What is the InChIKey of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide?
The InChIKey is DUHLWLNYIOTVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N4O/c10-6-7(4-1-2-4)17(3-5(18)15-14)16-8(6)9(11,12)13/h4H,1-3,14H2,(H,15,18).
What are the key properties of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide?
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide has a molecular weight of 282.65 g/mol, XLogP of 1.42, 3 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-(trifluoromethyl)pyrazol-1-yl]acetohydrazide is sourced from PubChem (CID 7018508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).