2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

C16H19ClF3N5O — CID 4769269

IUPAC2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1NC(=O)C(C)n1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C16H19ClF3N5O/c1-7-12(8(2)24(4)22-7)21-15(26)9(3)25-13(10-5-6-10)11(17)14(23-25)16(18,19)20/h9-10H,5-6H2,1-4H3,(H,21,26)
InChIKeyLRCORHKCMCLFGV-UHFFFAOYSA-N
MW389.81 g/mol
LogP3.98
Rot. Bonds4

About 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 4769269) has the molecular formula C16H19ClF3N5O and a molecular weight of 389.81 g/mol. Its IUPAC name is 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID4769269
Molecular FormulaC16H19ClF3N5O
Molecular Weight389.81 g/mol
Exact Mass389.12
IUPAC Name2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1NC(=O)C(C)n1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C16H19ClF3N5O/c1-7-12(8(2)24(4)22-7)21-15(26)9(3)25-13(10-5-6-10)11(17)14(23-25)16(18,19)20/h9-10H,5-6H2,1-4H3,(H,21,26)
InChIKeyLRCORHKCMCLFGV-UHFFFAOYSA-N
XLogP3.98
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.81
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide
CID 4770913
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)ethanone
CID 4767685
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-cyclopentylpropanamide
CID 4769815
2-[4-Chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]-N-isopropylpropanamide
CID 4770023
4-[2-[4-Chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-5-carboxamide
CID 4770133
3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexylpropanamide
CID 4770346
4-Chloro-5-cyclopropyl-N-(1,5-dimethyl-1H-pyrazol-4-yl)-alpha-methyl-3-(trifluoromethyl)-1H-pyrazole-1-acetamide
CID 4770620

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 4769269) is 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1NC(=O)C(C)n1nc(C(F)(F)F)c(Cl)c1C1CC1.
What is the InChIKey of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is LRCORHKCMCLFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClF3N5O/c1-7-12(8(2)24(4)22-7)21-15(26)9(3)25-13(10-5-6-10)11(17)14(23-25)16(18,19)20/h9-10H,5-6H2,1-4H3,(H,21,26).
What are the key properties of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 389.81 g/mol, XLogP of 3.98, 4 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-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 4769269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).