3-(5-chloro-2-methoxyphenyl)-1-[2-(3-fluoropyrrolidin-1-yl)ethyl]pyrazole

C16H19ClFN3O — CID 141405393

IUPAC3-(5-chloro-2-methoxyphenyl)-1-[2-(3-fluoropyrrolidin-1-yl)ethyl]pyrazole
SMILESCOc1ccc(Cl)cc1-c1ccn(CCN2CCC(F)C2)n1
InChIInChI=1S/C16H19ClFN3O/c1-22-16-3-2-12(17)10-14(16)15-5-7-21(19-15)9-8-20-6-4-13(18)11-20/h2-3,5,7,10,13H,4,6,8-9,11H2,1H3
InChIKeyCZLFBXLKXJHOSN-UHFFFAOYSA-N
MW323.80 g/mol
LogP3.26
Rot. Bonds5

About 3-(5-chloro-2-methoxyphenyl)-1-[2-(3-fluoropyrrolidin-1-yl)ethyl]pyrazole

3-(5-chloro-2-methoxyphenyl)-1-[2-(3-fluoropyrrolidin-1-yl)ethyl]pyrazole (PubChem CID 141405393) has the molecular formula C16H19ClFN3O and a molecular weight of 323.80 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)-1-[2-(3-fluoropyrrolidin-1-yl)ethyl]pyrazole.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)-1-[2-(3-fluoropyrrolidin-1-yl)ethyl]pyrazole
PubChem CID141405393
Molecular FormulaC16H19ClFN3O
Molecular Weight323.80 g/mol
Exact Mass323.12
IUPAC Name3-(5-chloro-2-methoxyphenyl)-1-[2-(3-fluoropyrrolidin-1-yl)ethyl]pyrazole
SMILESCOc1ccc(Cl)cc1-c1ccn(CCN2CCC(F)C2)n1
InChIInChI=1S/C16H19ClFN3O/c1-22-16-3-2-12(17)10-14(16)15-5-7-21(19-15)9-8-20-6-4-13(18)11-20/h2-3,5,7,10,13H,4,6,8-9,11H2,1H3
InChIKeyCZLFBXLKXJHOSN-UHFFFAOYSA-N
XLogP3.26
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-[4-Chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]methyl]-1-methylpyrazole
CID 118864285
US10155727, Example 5
CID 118864176
US10155727, Example 3
CID 118864190
US10155727, Example 8
CID 118864364
US10155727, Example 12
CID 118864386
5-(2-Methoxyphenyl)-1-methyl-1H-pyrazole
CID 21722232
1-[(5-Chloro-2-methoxyphenyl)methyl]-4-(4-methoxyphenyl)triazole
CID 172466173
1-[(5-Chloro-2-propoxyphenyl)methyl]-4-phenyltriazole
CID 172468403
US10155727, Example 11
CID 118864416
US10155727, Example 21
CID 118864275
(5-chloro-2-methoxybenzyl)[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]ethylamine
CID 46999917
1-[1-[(5-Chloro-2-methoxyphenyl)methyl]azetidin-3-yl]pyrazole
CID 53583184

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)-1-[2-(3-fluoropyrrolidin-1-yl)ethyl]pyrazole?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)-1-[2-(3-fluoropyrrolidin-1-yl)ethyl]pyrazole (CID 141405393) is 3-(5-chloro-2-methoxyphenyl)-1-[2-(3-fluoropyrrolidin-1-yl)ethyl]pyrazole.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)-1-[2-(3-fluoropyrrolidin-1-yl)ethyl]pyrazole?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)-1-[2-(3-fluoropyrrolidin-1-yl)ethyl]pyrazole is COc1ccc(Cl)cc1-c1ccn(CCN2CCC(F)C2)n1.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)-1-[2-(3-fluoropyrrolidin-1-yl)ethyl]pyrazole?
The InChIKey is CZLFBXLKXJHOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN3O/c1-22-16-3-2-12(17)10-14(16)15-5-7-21(19-15)9-8-20-6-4-13(18)11-20/h2-3,5,7,10,13H,4,6,8-9,11H2,1H3.
What are the key properties of 3-(5-chloro-2-methoxyphenyl)-1-[2-(3-fluoropyrrolidin-1-yl)ethyl]pyrazole?
3-(5-chloro-2-methoxyphenyl)-1-[2-(3-fluoropyrrolidin-1-yl)ethyl]pyrazole has a molecular weight of 323.80 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyphenyl)-1-[2-(3-fluoropyrrolidin-1-yl)ethyl]pyrazole is sourced from PubChem (CID 141405393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).