N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-3-[2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide

C29H29FN4O2 — CID 45224221

IUPACN-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-3-[2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
SMILESCN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)CCC1(Cc2cccc3ccccc23)CCC(=O)N1
InChIInChI=1S/C29H29FN4O2/c1-33(19-21-18-31-34(20-21)25-11-9-24(30)10-12-25)28(36)14-16-29(15-13-27(35)32-29)17-23-7-4-6-22-5-2-3-8-26(22)23/h2-12,18,20H,13-17,19H2,1H3,(H,32,35)
InChIKeyCOEOQPSLEGYCOQ-UHFFFAOYSA-N
MW484.58 g/mol
LogP4.79
Rot. Bonds8

About N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-3-[2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide

N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-3-[2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide (PubChem CID 45224221) has the molecular formula C29H29FN4O2 and a molecular weight of 484.58 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-3-[2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-3-[2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
PubChem CID45224221
Molecular FormulaC29H29FN4O2
Molecular Weight484.58 g/mol
Exact Mass484.23
IUPAC NameN-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-3-[2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
SMILESCN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)CCC1(Cc2cccc3ccccc23)CCC(=O)N1
InChIInChI=1S/C29H29FN4O2/c1-33(19-21-18-31-34(20-21)25-11-9-24(30)10-12-25)28(36)14-16-29(15-13-27(35)32-29)17-23-7-4-6-22-5-2-3-8-26(22)23/h2-12,18,20H,13-17,19H2,1H3,(H,32,35)
InChIKeyCOEOQPSLEGYCOQ-UHFFFAOYSA-N
XLogP4.79
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 42434983
3-[2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-[(4-methylphenyl)methyl]propanamide
CID 45168528
3-[(2S)-2-benzyl-5-oxopyrrolidin-2-yl]-N-methyl-N-(quinolin-5-ylmethyl)propanamide
CID 26349743
3-(2-benzyl-5-oxopyrrolidin-2-yl)-N-methyl-N-(quinolin-5-ylmethyl)propanamide
CID 45244552
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
CID 70761761
2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166271
N-[2-(2-fluorophenyl)ethyl]-3-[(2S)-2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 26275115
N-methyl-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-(1,2-oxazol-5-ylmethyl)propanamide
CID 126463504
3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide
CID 135892921
N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-[(2S)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide
CID 26320621
N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-3-[2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide
CID 45220010
2-(1H-indol-3-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8950246

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-3-[2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide?
The IUPAC name of N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-3-[2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide (CID 45224221) is N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-3-[2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-3-[2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-3-[2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide is CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)CCC1(Cc2cccc3ccccc23)CCC(=O)N1.
What is the InChIKey of N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-3-[2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide?
The InChIKey is COEOQPSLEGYCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN4O2/c1-33(19-21-18-31-34(20-21)25-11-9-24(30)10-12-25)28(36)14-16-29(15-13-27(35)32-29)17-23-7-4-6-22-5-2-3-8-26(22)23/h2-12,18,20H,13-17,19H2,1H3,(H,32,35).
What are the key properties of N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-3-[2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide?
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-3-[2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide has a molecular weight of 484.58 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-3-[2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide is sourced from PubChem (CID 45224221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).