4-(4-fluorophenoxy)-5-methyl-1-pyrrolidin-3-ylpyrazole

C14H16FN3O — CID 115055509

IUPAC4-(4-fluorophenoxy)-5-methyl-1-pyrrolidin-3-ylpyrazole
SMILESCc1c(Oc2ccc(F)cc2)cnn1C1CCNC1
InChIInChI=1S/C14H16FN3O/c1-10-14(19-13-4-2-11(15)3-5-13)9-17-18(10)12-6-7-16-8-12/h2-5,9,12,16H,6-8H2,1H3
InChIKeyJATBTVIXTYPVMV-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.66
Rot. Bonds3

About 4-(4-fluorophenoxy)-5-methyl-1-pyrrolidin-3-ylpyrazole

4-(4-fluorophenoxy)-5-methyl-1-pyrrolidin-3-ylpyrazole (PubChem CID 115055509) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-5-methyl-1-pyrrolidin-3-ylpyrazole.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-5-methyl-1-pyrrolidin-3-ylpyrazole
PubChem CID115055509
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name4-(4-fluorophenoxy)-5-methyl-1-pyrrolidin-3-ylpyrazole
SMILESCc1c(Oc2ccc(F)cc2)cnn1C1CCNC1
InChIInChI=1S/C14H16FN3O/c1-10-14(19-13-4-2-11(15)3-5-13)9-17-18(10)12-6-7-16-8-12/h2-5,9,12,16H,6-8H2,1H3
InChIKeyJATBTVIXTYPVMV-UHFFFAOYSA-N
XLogP2.66
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-methyl-4-(4-methylphenoxy)pyrazol-1-yl]piperidine
CID 115055499
4-[4-(4-chlorophenoxy)-5-methylpyrazol-1-yl]piperidine
CID 115055523
4-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)oxyphenol
CID 115055547
5-bromo-4-phenoxy-1-pyrrolidin-3-ylpyrazole
CID 117231772
4-[4-(3-methoxyphenoxy)-5-methylpyrazol-1-yl]piperidine
CID 115055478
7-methoxy-1-pyrrolidin-3-ylindazole
CID 84682928
3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methyl-1-[(3R)-pyrrolidin-3-yl]pyrazolo[4,5-c]pyridine
CID 130247776
7-(4-phenoxyphenyl)-1-pyrrolidin-3-ylpyrazolo[5,4-c]pyridine
CID 172718042
4-(1-pyrrolidin-3-ylpyrazol-4-yl)oxyphenol
CID 115055541
1-[(3R)-pyrrolidin-3-yl]indazole
CID 94401525
3-[4-(4-bromophenyl)-5-methylpyrazol-1-yl]piperidine
CID 84604219
3-[2-fluoro-4-(2,3,5-trifluorophenoxy)phenyl]-1-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidine
CID 141410014

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-5-methyl-1-pyrrolidin-3-ylpyrazole?
The IUPAC name of 4-(4-fluorophenoxy)-5-methyl-1-pyrrolidin-3-ylpyrazole (CID 115055509) is 4-(4-fluorophenoxy)-5-methyl-1-pyrrolidin-3-ylpyrazole.
What is the SMILES notation for 4-(4-fluorophenoxy)-5-methyl-1-pyrrolidin-3-ylpyrazole?
The canonical SMILES for 4-(4-fluorophenoxy)-5-methyl-1-pyrrolidin-3-ylpyrazole is Cc1c(Oc2ccc(F)cc2)cnn1C1CCNC1.
What is the InChIKey of 4-(4-fluorophenoxy)-5-methyl-1-pyrrolidin-3-ylpyrazole?
The InChIKey is JATBTVIXTYPVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-10-14(19-13-4-2-11(15)3-5-13)9-17-18(10)12-6-7-16-8-12/h2-5,9,12,16H,6-8H2,1H3.
What are the key properties of 4-(4-fluorophenoxy)-5-methyl-1-pyrrolidin-3-ylpyrazole?
4-(4-fluorophenoxy)-5-methyl-1-pyrrolidin-3-ylpyrazole has a molecular weight of 261.30 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-5-methyl-1-pyrrolidin-3-ylpyrazole is sourced from PubChem (CID 115055509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).