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

C12H10ClF3N4O — CID 4768134

IUPAC2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrazol-1-ylethanone
SMILESO=C(Cn1nc(C(F)(F)F)c(Cl)c1C1CC1)n1cccn1
InChIInChI=1S/C12H10ClF3N4O/c13-9-10(7-2-3-7)20(18-11(9)12(14,15)16)6-8(21)19-5-1-4-17-19/h1,4-5,7H,2-3,6H2
InChIKeyZLXPXGGJONQQLX-UHFFFAOYSA-N
MW318.69 g/mol
LogP2.97
Rot. Bonds3

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

2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrazol-1-ylethanone (PubChem CID 4768134) has the molecular formula C12H10ClF3N4O and a molecular weight of 318.69 g/mol. Its IUPAC name is 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrazol-1-ylethanone.

Molecular Properties

Compound Name2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrazol-1-ylethanone
PubChem CID4768134
Molecular FormulaC12H10ClF3N4O
Molecular Weight318.69 g/mol
Exact Mass318.05
IUPAC Name2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrazol-1-ylethanone
SMILESO=C(Cn1nc(C(F)(F)F)c(Cl)c1C1CC1)n1cccn1
InChIInChI=1S/C12H10ClF3N4O/c13-9-10(7-2-3-7)20(18-11(9)12(14,15)16)6-8(21)19-5-1-4-17-19/h1,4-5,7H,2-3,6H2
InChIKeyZLXPXGGJONQQLX-UHFFFAOYSA-N
XLogP2.97
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.69
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(1,3-dimethyl-1H-pyrazol-4-yl)acetamide
CID 843837
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1-methyl-1H-pyrazol-5-yl)methyl]acetamide
CID 4765525
3-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1-methyl-1H-pyrazol-5-yl)methyl]propanamide
CID 4770006
3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1-methyl-1H-pyrazol-5-yl)methyl]propanamide
CID 4770840
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 843910
2-[5-Cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]-N~1~-(1,5-dimethyl-1H-pyrazol-4-YL)acetamide
CID 843717
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-{4-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}ethanone
CID 4770724
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 4082705
5-cyclopropyl-1-[2-oxo-2-(1H-pyrazol-1-yl)ethyl]-3-(trifluoromethyl)-1H-pyrazole
CID 4767898
4-chloro-5-cyclopropyl-1-[3-oxo-3-(1H-pyrazol-1-yl)propyl]-3-(trifluoromethyl)-1H-pyrazole
CID 4768484
2-[4-Chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-methylpyrazol-1-yl)propan-1-one
CID 4768571
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]acetamide
CID 4768712

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrazol-1-ylethanone?
The IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrazol-1-ylethanone (CID 4768134) is 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrazol-1-ylethanone.
What is the SMILES notation for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrazol-1-ylethanone?
The canonical SMILES for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrazol-1-ylethanone is O=C(Cn1nc(C(F)(F)F)c(Cl)c1C1CC1)n1cccn1.
What is the InChIKey of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrazol-1-ylethanone?
The InChIKey is ZLXPXGGJONQQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N4O/c13-9-10(7-2-3-7)20(18-11(9)12(14,15)16)6-8(21)19-5-1-4-17-19/h1,4-5,7H,2-3,6H2.
What are the key properties of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrazol-1-ylethanone?
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrazol-1-ylethanone has a molecular weight of 318.69 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrazol-1-ylethanone is sourced from PubChem (CID 4768134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).