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

C15H16BrClF3N5O — CID 4769352

IUPACN-[2-(4-bromopyrazol-1-yl)ethyl]-3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESO=C(CCn1nc(C(F)(F)F)c(Cl)c1C1CC1)NCCn1cc(Br)cn1
InChIInChI=1S/C15H16BrClF3N5O/c16-10-7-22-24(8-10)6-4-21-11(26)3-5-25-13(9-1-2-9)12(17)14(23-25)15(18,19)20/h7-9H,1-6H2,(H,21,26)
InChIKeyTTWZLKWRJSAOCX-UHFFFAOYSA-N
MW454.68 g/mol
LogP3.60
Rot. Bonds7

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

N-[2-(4-bromopyrazol-1-yl)ethyl]-3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 4769352) has the molecular formula C15H16BrClF3N5O and a molecular weight of 454.68 g/mol. Its IUPAC name is N-[2-(4-bromopyrazol-1-yl)ethyl]-3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-[2-(4-bromopyrazol-1-yl)ethyl]-3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID4769352
Molecular FormulaC15H16BrClF3N5O
Molecular Weight454.68 g/mol
Exact Mass453.02
IUPAC NameN-[2-(4-bromopyrazol-1-yl)ethyl]-3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESO=C(CCn1nc(C(F)(F)F)c(Cl)c1C1CC1)NCCn1cc(Br)cn1
InChIInChI=1S/C15H16BrClF3N5O/c16-10-7-22-24(8-10)6-4-21-11(26)3-5-25-13(9-1-2-9)12(17)14(23-25)15(18,19)20/h7-9H,1-6H2,(H,21,26)
InChIKeyTTWZLKWRJSAOCX-UHFFFAOYSA-N
XLogP3.60
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.68
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromopyrazol-1-yl)ethyl]-3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-[2-(4-bromopyrazol-1-yl)ethyl]-3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 4769352) is N-[2-(4-bromopyrazol-1-yl)ethyl]-3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-[2-(4-bromopyrazol-1-yl)ethyl]-3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-[2-(4-bromopyrazol-1-yl)ethyl]-3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is O=C(CCn1nc(C(F)(F)F)c(Cl)c1C1CC1)NCCn1cc(Br)cn1.
What is the InChIKey of N-[2-(4-bromopyrazol-1-yl)ethyl]-3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is TTWZLKWRJSAOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClF3N5O/c16-10-7-22-24(8-10)6-4-21-11(26)3-5-25-13(9-1-2-9)12(17)14(23-25)15(18,19)20/h7-9H,1-6H2,(H,21,26).
What are the key properties of N-[2-(4-bromopyrazol-1-yl)ethyl]-3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-[2-(4-bromopyrazol-1-yl)ethyl]-3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 454.68 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromopyrazol-1-yl)ethyl]-3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 4769352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).