3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpropanamide

C18H23ClF3N5O — CID 4770579

IUPAC3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpropanamide
SMILESCCn1cc(CN(C)C(=O)CCn2nc(C(F)(F)F)c(Cl)c2C2CC2)c(C)n1
InChIInChI=1S/C18H23ClF3N5O/c1-4-26-10-13(11(2)23-26)9-25(3)14(28)7-8-27-16(12-5-6-12)15(19)17(24-27)18(20,21)22/h10,12H,4-9H2,1-3H3
InChIKeyBEODMQKRHMRMEX-UHFFFAOYSA-N
MW417.86 g/mol
LogP4.01
Rot. Bonds7

About 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpropanamide

3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpropanamide (PubChem CID 4770579) has the molecular formula C18H23ClF3N5O and a molecular weight of 417.86 g/mol. Its IUPAC name is 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpropanamide
PubChem CID4770579
Molecular FormulaC18H23ClF3N5O
Molecular Weight417.86 g/mol
Exact Mass417.15
IUPAC Name3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpropanamide
SMILESCCn1cc(CN(C)C(=O)CCn2nc(C(F)(F)F)c(Cl)c2C2CC2)c(C)n1
InChIInChI=1S/C18H23ClF3N5O/c1-4-26-10-13(11(2)23-26)9-25(3)14(28)7-8-27-16(12-5-6-12)15(19)17(24-27)18(20,21)22/h10,12H,4-9H2,1-3H3
InChIKeyBEODMQKRHMRMEX-UHFFFAOYSA-N
XLogP4.01
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.86
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1-methyl-1H-pyrazol-5-yl)methyl]propanamide
CID 4770840
2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide
CID 4769562
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide
CID 4770455
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-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide
CID 4770780
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide
CID 4771328
3-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 17023044
3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-N-methylpropanamide
CID 19575660
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-(1H-pyrazol-1-yl)ethanone
CID 4768134
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
4-chloro-5-cyclopropyl-1-[1-methyl-2-oxo-2-(1H-pyrazol-1-yl)ethyl]-3-(trifluoromethyl)-1H-pyrazole
CID 4769344

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpropanamide?
The IUPAC name of 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpropanamide (CID 4770579) is 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpropanamide is CCn1cc(CN(C)C(=O)CCn2nc(C(F)(F)F)c(Cl)c2C2CC2)c(C)n1.
What is the InChIKey of 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpropanamide?
The InChIKey is BEODMQKRHMRMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClF3N5O/c1-4-26-10-13(11(2)23-26)9-25(3)14(28)7-8-27-16(12-5-6-12)15(19)17(24-27)18(20,21)22/h10,12H,4-9H2,1-3H3.
What are the key properties of 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpropanamide?
3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpropanamide has a molecular weight of 417.86 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpropanamide is sourced from PubChem (CID 4770579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).