2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(4-chloropyrazol-1-yl)propyl]acetamide

C15H16Cl2F3N5O — CID 4768843

IUPAC2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(4-chloropyrazol-1-yl)propyl]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)c(Cl)c1C1CC1)NCCCn1cc(Cl)cn1
InChIInChI=1S/C15H16Cl2F3N5O/c16-10-6-22-24(7-10)5-1-4-21-11(26)8-25-13(9-2-3-9)12(17)14(23-25)15(18,19)20/h6-7,9H,1-5,8H2,(H,21,26)
InChIKeyCVEHXAAVIVITLS-UHFFFAOYSA-N
MW410.23 g/mol
LogP3.49
Rot. Bonds7

About 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(4-chloropyrazol-1-yl)propyl]acetamide

2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(4-chloropyrazol-1-yl)propyl]acetamide (PubChem CID 4768843) has the molecular formula C15H16Cl2F3N5O and a molecular weight of 410.23 g/mol. Its IUPAC name is 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(4-chloropyrazol-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(4-chloropyrazol-1-yl)propyl]acetamide
PubChem CID4768843
Molecular FormulaC15H16Cl2F3N5O
Molecular Weight410.23 g/mol
Exact Mass409.07
IUPAC Name2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(4-chloropyrazol-1-yl)propyl]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)c(Cl)c1C1CC1)NCCCn1cc(Cl)cn1
InChIInChI=1S/C15H16Cl2F3N5O/c16-10-6-22-24(7-10)5-1-4-21-11(26)8-25-13(9-2-3-9)12(17)14(23-25)15(18,19)20/h6-7,9H,1-5,8H2,(H,21,26)
InChIKeyCVEHXAAVIVITLS-UHFFFAOYSA-N
XLogP3.49
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.23
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 4765525
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 4770006
3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-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-(4-chloro-3-methyl-1H-pyrazol-1-yl)-N-[1-(1-methyl-1H-pyrazol-5-yl)propyl]acetamide
CID 91797470
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 4082705
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-(1H-pyrazol-1-yl)ethanone
CID 4768134
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(4-chloropyrazol-1-yl)propyl]acetamide?
The IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(4-chloropyrazol-1-yl)propyl]acetamide (CID 4768843) is 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(4-chloropyrazol-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(4-chloropyrazol-1-yl)propyl]acetamide?
The canonical SMILES for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(4-chloropyrazol-1-yl)propyl]acetamide is O=C(Cn1nc(C(F)(F)F)c(Cl)c1C1CC1)NCCCn1cc(Cl)cn1.
What is the InChIKey of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(4-chloropyrazol-1-yl)propyl]acetamide?
The InChIKey is CVEHXAAVIVITLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2F3N5O/c16-10-6-22-24(7-10)5-1-4-21-11(26)8-25-13(9-2-3-9)12(17)14(23-25)15(18,19)20/h6-7,9H,1-5,8H2,(H,21,26).
What are the key properties of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(4-chloropyrazol-1-yl)propyl]acetamide?
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(4-chloropyrazol-1-yl)propyl]acetamide has a molecular weight of 410.23 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 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]-N-[3-(4-chloropyrazol-1-yl)propyl]acetamide is sourced from PubChem (CID 4768843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).