5-chloro-1-methyl-4-[(3-propylpyrrolidin-1-yl)methyl]-3-(trifluoromethyl)pyrazole

C13H19ClF3N3 — CID 69295771

IUPAC5-chloro-1-methyl-4-[(3-propylpyrrolidin-1-yl)methyl]-3-(trifluoromethyl)pyrazole
SMILESCCCC1CCN(Cc2c(C(F)(F)F)nn(C)c2Cl)C1
InChIInChI=1S/C13H19ClF3N3/c1-3-4-9-5-6-20(7-9)8-10-11(13(15,16)17)18-19(2)12(10)14/h9H,3-8H2,1-2H3
InChIKeyYNRLNCSEXPMJNN-UHFFFAOYSA-N
MW309.76 g/mol
LogP3.71
Rot. Bonds4

About 5-chloro-1-methyl-4-[(3-propylpyrrolidin-1-yl)methyl]-3-(trifluoromethyl)pyrazole

5-chloro-1-methyl-4-[(3-propylpyrrolidin-1-yl)methyl]-3-(trifluoromethyl)pyrazole (PubChem CID 69295771) has the molecular formula C13H19ClF3N3 and a molecular weight of 309.76 g/mol. Its IUPAC name is 5-chloro-1-methyl-4-[(3-propylpyrrolidin-1-yl)methyl]-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-chloro-1-methyl-4-[(3-propylpyrrolidin-1-yl)methyl]-3-(trifluoromethyl)pyrazole
PubChem CID69295771
Molecular FormulaC13H19ClF3N3
Molecular Weight309.76 g/mol
Exact Mass309.12
IUPAC Name5-chloro-1-methyl-4-[(3-propylpyrrolidin-1-yl)methyl]-3-(trifluoromethyl)pyrazole
SMILESCCCC1CCN(Cc2c(C(F)(F)F)nn(C)c2Cl)C1
InChIInChI=1S/C13H19ClF3N3/c1-3-4-9-5-6-20(7-9)8-10-11(13(15,16)17)18-19(2)12(10)14/h9H,3-8H2,1-2H3
InChIKeyYNRLNCSEXPMJNN-UHFFFAOYSA-N
XLogP3.71
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-[(3-ethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole
CID 115688533
tert-butyl N-[[(3S)-1-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-3-yl]methyl]-N-methylcarbamate
CID 97349401
[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanol
CID 1476999
2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol
CID 62356478
1-benzyl-3-propylpyrrolidine
CID 12648211
5-chloro-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazole
CID 61224422
N-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclobutanecarboxamide
CID 56752519
[4-[(3-propylpyrrolidin-1-yl)methyl]phenyl]methanol
CID 113356734
N-[[(3S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-methylbut-2-enamide
CID 95230004
1-ethyl-3-propylpyrrolidine;hydrochloride
CID 175849509
4-chloro-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-methylpiperidine
CID 114682232
6-[1-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
CID 69454550

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-4-[(3-propylpyrrolidin-1-yl)methyl]-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-chloro-1-methyl-4-[(3-propylpyrrolidin-1-yl)methyl]-3-(trifluoromethyl)pyrazole (CID 69295771) is 5-chloro-1-methyl-4-[(3-propylpyrrolidin-1-yl)methyl]-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-chloro-1-methyl-4-[(3-propylpyrrolidin-1-yl)methyl]-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-chloro-1-methyl-4-[(3-propylpyrrolidin-1-yl)methyl]-3-(trifluoromethyl)pyrazole is CCCC1CCN(Cc2c(C(F)(F)F)nn(C)c2Cl)C1.
What is the InChIKey of 5-chloro-1-methyl-4-[(3-propylpyrrolidin-1-yl)methyl]-3-(trifluoromethyl)pyrazole?
The InChIKey is YNRLNCSEXPMJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClF3N3/c1-3-4-9-5-6-20(7-9)8-10-11(13(15,16)17)18-19(2)12(10)14/h9H,3-8H2,1-2H3.
What are the key properties of 5-chloro-1-methyl-4-[(3-propylpyrrolidin-1-yl)methyl]-3-(trifluoromethyl)pyrazole?
5-chloro-1-methyl-4-[(3-propylpyrrolidin-1-yl)methyl]-3-(trifluoromethyl)pyrazole has a molecular weight of 309.76 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-4-[(3-propylpyrrolidin-1-yl)methyl]-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 69295771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).