(3R)-3-[[2-(2-fluorophenyl)phenyl]methyl]-1-(1-methylpyrazole-3-carbonyl)-N-propan-2-ylpyrrolidine-3-carboxamide

C26H29FN4O2 — CID 92579949

IUPAC(3R)-3-[[2-(2-fluorophenyl)phenyl]methyl]-1-(1-methylpyrazole-3-carbonyl)-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)[C@]1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)c2ccn(C)n2)C1
InChIInChI=1S/C26H29FN4O2/c1-18(2)28-25(33)26(13-15-31(17-26)24(32)23-12-14-30(3)29-23)16-19-8-4-5-9-20(19)21-10-6-7-11-22(21)27/h4-12,14,18H,13,15-17H2,1-3H3,(H,28,33)/t26-/m0/s1
InChIKeyYCXNDIDSGQBIMH-SANMLTNESA-N
MW448.54 g/mol
LogP3.83
Rot. Bonds6

About (3R)-3-[[2-(2-fluorophenyl)phenyl]methyl]-1-(1-methylpyrazole-3-carbonyl)-N-propan-2-ylpyrrolidine-3-carboxamide

(3R)-3-[[2-(2-fluorophenyl)phenyl]methyl]-1-(1-methylpyrazole-3-carbonyl)-N-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 92579949) has the molecular formula C26H29FN4O2 and a molecular weight of 448.54 g/mol. Its IUPAC name is (3R)-3-[[2-(2-fluorophenyl)phenyl]methyl]-1-(1-methylpyrazole-3-carbonyl)-N-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-3-[[2-(2-fluorophenyl)phenyl]methyl]-1-(1-methylpyrazole-3-carbonyl)-N-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID92579949
Molecular FormulaC26H29FN4O2
Molecular Weight448.54 g/mol
Exact Mass448.23
IUPAC Name(3R)-3-[[2-(2-fluorophenyl)phenyl]methyl]-1-(1-methylpyrazole-3-carbonyl)-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)[C@]1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)c2ccn(C)n2)C1
InChIInChI=1S/C26H29FN4O2/c1-18(2)28-25(33)26(13-15-31(17-26)24(32)23-12-14-30(3)29-23)16-19-8-4-5-9-20(19)21-10-6-7-11-22(21)27/h4-12,14,18H,13,15-17H2,1-3H3,(H,28,33)/t26-/m0/s1
InChIKeyYCXNDIDSGQBIMH-SANMLTNESA-N
XLogP3.83
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide
CID 92579896
3-[[2-(2-fluorophenyl)phenyl]methyl]-N-methyl-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide
CID 110230989
1-(1-methylpyrazole-3-carbonyl)-N-prop-2-ynyl-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231127
(3R)-1-(3-fluorobenzoyl)-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579909
(3R)-1-acetyl-N-ethyl-3-[[2-(2-fluorophenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 92592194
(3S)-3-[(2-phenylphenyl)methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide
CID 92579894
3-[[2-(2-fluorophenyl)phenyl]methyl]-N-prop-2-enyl-1-(pyrazine-2-carbonyl)pyrrolidine-3-carboxamide
CID 110232781
1-(cyclopentanecarbonyl)-N-ethyl-3-[[2-(2-fluorophenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 110231007
(3S)-1-benzoyl-N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579912
(3R)-1-benzoyl-N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579913
1-butanoyl-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-methylpyrrolidine-3-carboxamide
CID 110230982
3-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(3-methylbutanoyl)pyrrolidine-3-carboxamide
CID 110230994

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[2-(2-fluorophenyl)phenyl]methyl]-1-(1-methylpyrazole-3-carbonyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-3-[[2-(2-fluorophenyl)phenyl]methyl]-1-(1-methylpyrazole-3-carbonyl)-N-propan-2-ylpyrrolidine-3-carboxamide (CID 92579949) is (3R)-3-[[2-(2-fluorophenyl)phenyl]methyl]-1-(1-methylpyrazole-3-carbonyl)-N-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-3-[[2-(2-fluorophenyl)phenyl]methyl]-1-(1-methylpyrazole-3-carbonyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-3-[[2-(2-fluorophenyl)phenyl]methyl]-1-(1-methylpyrazole-3-carbonyl)-N-propan-2-ylpyrrolidine-3-carboxamide is CC(C)NC(=O)[C@]1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)c2ccn(C)n2)C1.
What is the InChIKey of (3R)-3-[[2-(2-fluorophenyl)phenyl]methyl]-1-(1-methylpyrazole-3-carbonyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is YCXNDIDSGQBIMH-SANMLTNESA-N. The full InChI is InChI=1S/C26H29FN4O2/c1-18(2)28-25(33)26(13-15-31(17-26)24(32)23-12-14-30(3)29-23)16-19-8-4-5-9-20(19)21-10-6-7-11-22(21)27/h4-12,14,18H,13,15-17H2,1-3H3,(H,28,33)/t26-/m0/s1.
What are the key properties of (3R)-3-[[2-(2-fluorophenyl)phenyl]methyl]-1-(1-methylpyrazole-3-carbonyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
(3R)-3-[[2-(2-fluorophenyl)phenyl]methyl]-1-(1-methylpyrazole-3-carbonyl)-N-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 448.54 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[2-(2-fluorophenyl)phenyl]methyl]-1-(1-methylpyrazole-3-carbonyl)-N-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 92579949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).