3-[[2-(2-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide

C25H27FN4O2 — CID 110231014

IUPAC3-[[2-(2-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)C1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)c2ccn[nH]2)C1
InChIInChI=1S/C25H27FN4O2/c1-17(2)28-24(32)25(12-14-30(16-25)23(31)22-11-13-27-29-22)15-18-7-3-4-8-19(18)20-9-5-6-10-21(20)26/h3-11,13,17H,12,14-16H2,1-2H3,(H,27,29)(H,28,32)
InChIKeyPHFYPQQEIIAUSQ-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.82
Rot. Bonds6

About 3-[[2-(2-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide

3-[[2-(2-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 110231014) has the molecular formula C25H27FN4O2 and a molecular weight of 434.52 g/mol. Its IUPAC name is 3-[[2-(2-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-[[2-(2-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide
PubChem CID110231014
Molecular FormulaC25H27FN4O2
Molecular Weight434.52 g/mol
Exact Mass434.21
IUPAC Name3-[[2-(2-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)C1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)c2ccn[nH]2)C1
InChIInChI=1S/C25H27FN4O2/c1-17(2)28-24(32)25(12-14-30(16-25)23(31)22-11-13-27-29-22)15-18-7-3-4-8-19(18)20-9-5-6-10-21(20)26/h3-11,13,17H,12,14-16H2,1-2H3,(H,27,29)(H,28,32)
InChIKeyPHFYPQQEIIAUSQ-UHFFFAOYSA-N
XLogP3.82
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-[[2-(2-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide (CID 110231014) is 3-[[2-(2-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-[[2-(2-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-[[2-(2-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide is CC(C)NC(=O)C1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)c2ccn[nH]2)C1.
What is the InChIKey of 3-[[2-(2-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide?
The InChIKey is PHFYPQQEIIAUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O2/c1-17(2)28-24(32)25(12-14-30(16-25)23(31)22-11-13-27-29-22)15-18-7-3-4-8-19(18)20-9-5-6-10-21(20)26/h3-11,13,17H,12,14-16H2,1-2H3,(H,27,29)(H,28,32).
What are the key properties of 3-[[2-(2-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide?
3-[[2-(2-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 110231014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).