1-[[1-[4-(4-fluorophenyl)phenyl]-5-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-pyrrolidin-1-ylpiperidine

C32H35FN4O — CID 69361414

IUPAC1-[[1-[4-(4-fluorophenyl)phenyl]-5-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-pyrrolidin-1-ylpiperidine
SMILESCOc1cccc(-c2c(CN3CCC(N4CCCC4)CC3)cnn2-c2ccc(-c3ccc(F)cc3)cc2)c1
InChIInChI=1S/C32H35FN4O/c1-38-31-6-4-5-26(21-31)32-27(23-35-19-15-29(16-20-35)36-17-2-3-18-36)22-34-37(32)30-13-9-25(10-14-30)24-7-11-28(33)12-8-24/h4-14,21-22,29H,2-3,15-20,23H2,1H3
InChIKeyQJUHVXFDGQMCDE-UHFFFAOYSA-N
MW510.66 g/mol
LogP6.41
Rot. Bonds7

About 1-[[1-[4-(4-fluorophenyl)phenyl]-5-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-pyrrolidin-1-ylpiperidine

1-[[1-[4-(4-fluorophenyl)phenyl]-5-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-pyrrolidin-1-ylpiperidine (PubChem CID 69361414) has the molecular formula C32H35FN4O and a molecular weight of 510.66 g/mol. Its IUPAC name is 1-[[1-[4-(4-fluorophenyl)phenyl]-5-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-pyrrolidin-1-ylpiperidine.

Molecular Properties

Compound Name1-[[1-[4-(4-fluorophenyl)phenyl]-5-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-pyrrolidin-1-ylpiperidine
PubChem CID69361414
Molecular FormulaC32H35FN4O
Molecular Weight510.66 g/mol
Exact Mass510.28
IUPAC Name1-[[1-[4-(4-fluorophenyl)phenyl]-5-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-pyrrolidin-1-ylpiperidine
SMILESCOc1cccc(-c2c(CN3CCC(N4CCCC4)CC3)cnn2-c2ccc(-c3ccc(F)cc3)cc2)c1
InChIInChI=1S/C32H35FN4O/c1-38-31-6-4-5-26(21-31)32-27(23-35-19-15-29(16-20-35)36-17-2-3-18-36)22-34-37(32)30-13-9-25(10-14-30)24-7-11-28(33)12-8-24/h4-14,21-22,29H,2-3,15-20,23H2,1H3
InChIKeyQJUHVXFDGQMCDE-UHFFFAOYSA-N
XLogP6.41
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.66
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[4-(4-fluorophenyl)phenyl]-5-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-pyrrolidin-1-ylpiperidine?
The IUPAC name of 1-[[1-[4-(4-fluorophenyl)phenyl]-5-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-pyrrolidin-1-ylpiperidine (CID 69361414) is 1-[[1-[4-(4-fluorophenyl)phenyl]-5-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-pyrrolidin-1-ylpiperidine.
What is the SMILES notation for 1-[[1-[4-(4-fluorophenyl)phenyl]-5-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-pyrrolidin-1-ylpiperidine?
The canonical SMILES for 1-[[1-[4-(4-fluorophenyl)phenyl]-5-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-pyrrolidin-1-ylpiperidine is COc1cccc(-c2c(CN3CCC(N4CCCC4)CC3)cnn2-c2ccc(-c3ccc(F)cc3)cc2)c1.
What is the InChIKey of 1-[[1-[4-(4-fluorophenyl)phenyl]-5-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-pyrrolidin-1-ylpiperidine?
The InChIKey is QJUHVXFDGQMCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35FN4O/c1-38-31-6-4-5-26(21-31)32-27(23-35-19-15-29(16-20-35)36-17-2-3-18-36)22-34-37(32)30-13-9-25(10-14-30)24-7-11-28(33)12-8-24/h4-14,21-22,29H,2-3,15-20,23H2,1H3.
What are the key properties of 1-[[1-[4-(4-fluorophenyl)phenyl]-5-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-pyrrolidin-1-ylpiperidine?
1-[[1-[4-(4-fluorophenyl)phenyl]-5-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-pyrrolidin-1-ylpiperidine has a molecular weight of 510.66 g/mol, XLogP of 6.41, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[4-(4-fluorophenyl)phenyl]-5-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-pyrrolidin-1-ylpiperidine is sourced from PubChem (CID 69361414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).