5-methyl-3-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]-1H-pyrazol-5-yl]-1H-pyrazole

C17H15F3N4 — CID 141269239

IUPAC5-methyl-3-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]-1H-pyrazol-5-yl]-1H-pyrazole
SMILESCc1cc(-c2cc(-c3ccc(C4(C(F)(F)F)CC4)cc3)n[nH]2)n[nH]1
InChIInChI=1S/C17H15F3N4/c1-10-8-14(23-21-10)15-9-13(22-24-15)11-2-4-12(5-3-11)16(6-7-16)17(18,19)20/h2-5,8-9H,6-7H2,1H3,(H,21,23)(H,22,24)
InChIKeyJYWRDVIRSYUGNS-UHFFFAOYSA-N
MW332.33 g/mol
LogP4.37
Rot. Bonds3

About 5-methyl-3-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]-1H-pyrazol-5-yl]-1H-pyrazole

5-methyl-3-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]-1H-pyrazol-5-yl]-1H-pyrazole (PubChem CID 141269239) has the molecular formula C17H15F3N4 and a molecular weight of 332.33 g/mol. Its IUPAC name is 5-methyl-3-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]-1H-pyrazol-5-yl]-1H-pyrazole.

Molecular Properties

Compound Name5-methyl-3-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]-1H-pyrazol-5-yl]-1H-pyrazole
PubChem CID141269239
Molecular FormulaC17H15F3N4
Molecular Weight332.33 g/mol
Exact Mass332.12
IUPAC Name5-methyl-3-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]-1H-pyrazol-5-yl]-1H-pyrazole
SMILESCc1cc(-c2cc(-c3ccc(C4(C(F)(F)F)CC4)cc3)n[nH]2)n[nH]1
InChIInChI=1S/C17H15F3N4/c1-10-8-14(23-21-10)15-9-13(22-24-15)11-2-4-12(5-3-11)16(6-7-16)17(18,19)20/h2-5,8-9H,6-7H2,1H3,(H,21,23)(H,22,24)
InChIKeyJYWRDVIRSYUGNS-UHFFFAOYSA-N
XLogP4.37
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]-1H-pyrazol-5-yl]-1H-pyrazole?
The IUPAC name of 5-methyl-3-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]-1H-pyrazol-5-yl]-1H-pyrazole (CID 141269239) is 5-methyl-3-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]-1H-pyrazol-5-yl]-1H-pyrazole.
What is the SMILES notation for 5-methyl-3-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]-1H-pyrazol-5-yl]-1H-pyrazole?
The canonical SMILES for 5-methyl-3-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]-1H-pyrazol-5-yl]-1H-pyrazole is Cc1cc(-c2cc(-c3ccc(C4(C(F)(F)F)CC4)cc3)n[nH]2)n[nH]1.
What is the InChIKey of 5-methyl-3-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]-1H-pyrazol-5-yl]-1H-pyrazole?
The InChIKey is JYWRDVIRSYUGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4/c1-10-8-14(23-21-10)15-9-13(22-24-15)11-2-4-12(5-3-11)16(6-7-16)17(18,19)20/h2-5,8-9H,6-7H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 5-methyl-3-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]-1H-pyrazol-5-yl]-1H-pyrazole?
5-methyl-3-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]-1H-pyrazol-5-yl]-1H-pyrazole has a molecular weight of 332.33 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]-1H-pyrazol-5-yl]-1H-pyrazole is sourced from PubChem (CID 141269239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).