(3S)-N-[1-[4-fluoro-3-(2-methoxyethoxy)phenyl]-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide

C26H29FN4O4 — CID 89476607

IUPAC(3S)-N-[1-[4-fluoro-3-(2-methoxyethoxy)phenyl]-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccc(F)c(OCCOC)c2)c1
InChIInChI=1S/C26H29FN4O4/c1-3-5-17-6-4-7-18(12-17)22-15-24(29-26(33)19-13-25(32)28-16-19)30-31(22)20-8-9-21(27)23(14-20)35-11-10-34-2/h4,6-9,12,14-15,19H,3,5,10-11,13,16H2,1-2H3,(H,28,32)(H,29,30,33)/t19-/m0/s1
InChIKeySRXQTTZLORTOQY-IBGZPJMESA-N
MW480.54 g/mol
LogP3.73
Rot. Bonds10

About (3S)-N-[1-[4-fluoro-3-(2-methoxyethoxy)phenyl]-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide

(3S)-N-[1-[4-fluoro-3-(2-methoxyethoxy)phenyl]-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 89476607) has the molecular formula C26H29FN4O4 and a molecular weight of 480.54 g/mol. Its IUPAC name is (3S)-N-[1-[4-fluoro-3-(2-methoxyethoxy)phenyl]-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[1-[4-fluoro-3-(2-methoxyethoxy)phenyl]-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID89476607
Molecular FormulaC26H29FN4O4
Molecular Weight480.54 g/mol
Exact Mass480.22
IUPAC Name(3S)-N-[1-[4-fluoro-3-(2-methoxyethoxy)phenyl]-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccc(F)c(OCCOC)c2)c1
InChIInChI=1S/C26H29FN4O4/c1-3-5-17-6-4-7-18(12-17)22-15-24(29-26(33)19-13-25(32)28-16-19)30-31(22)20-8-9-21(27)23(14-20)35-11-10-34-2/h4,6-9,12,14-15,19H,3,5,10-11,13,16H2,1-2H3,(H,28,32)(H,29,30,33)/t19-/m0/s1
InChIKeySRXQTTZLORTOQY-IBGZPJMESA-N
XLogP3.73
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-[1-(3-chlorophenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89477020
(3S)-N-[1-(3-hydroxyphenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89476601
(3S)-N-[1-(2-fluorophenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89476870
(3R)-N-[1-(2-fluorophenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 90656989
(3S)-N-[1-(2-methoxyphenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89477035
(3S)-5-oxo-N-[1-[3-(propan-2-yloxymethyl)phenyl]-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 89476612
(3S)-5-oxo-N-[5-(3-propylphenyl)-1-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 90656984
(3S)-N-[1-benzyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89476663
(3S)-N-[1-(5-ethoxy-2-fluorophenyl)-5-[3-(2,2,2-trifluoroethoxymethyl)phenyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89476944
5-oxo-N-[5-(3-propylphenyl)-1H-pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 89476854
(3S)-5-oxo-N-[1-phenyl-5-[3-[[(2S)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 89476715
(3S)-N-[1-(4-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89476956

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[1-[4-fluoro-3-(2-methoxyethoxy)phenyl]-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[1-[4-fluoro-3-(2-methoxyethoxy)phenyl]-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide (CID 89476607) is (3S)-N-[1-[4-fluoro-3-(2-methoxyethoxy)phenyl]-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[1-[4-fluoro-3-(2-methoxyethoxy)phenyl]-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[1-[4-fluoro-3-(2-methoxyethoxy)phenyl]-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide is CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccc(F)c(OCCOC)c2)c1.
What is the InChIKey of (3S)-N-[1-[4-fluoro-3-(2-methoxyethoxy)phenyl]-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SRXQTTZLORTOQY-IBGZPJMESA-N. The full InChI is InChI=1S/C26H29FN4O4/c1-3-5-17-6-4-7-18(12-17)22-15-24(29-26(33)19-13-25(32)28-16-19)30-31(22)20-8-9-21(27)23(14-20)35-11-10-34-2/h4,6-9,12,14-15,19H,3,5,10-11,13,16H2,1-2H3,(H,28,32)(H,29,30,33)/t19-/m0/s1.
What are the key properties of (3S)-N-[1-[4-fluoro-3-(2-methoxyethoxy)phenyl]-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[1-[4-fluoro-3-(2-methoxyethoxy)phenyl]-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 480.54 g/mol, XLogP of 3.73, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[1-[4-fluoro-3-(2-methoxyethoxy)phenyl]-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 89476607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).