5-oxo-N-[5-(3-propylphenyl)-1H-pyrazol-3-yl]pyrrolidine-3-carboxamide

C17H20N4O2 — CID 89476854

IUPAC5-oxo-N-[5-(3-propylphenyl)-1H-pyrazol-3-yl]pyrrolidine-3-carboxamide
SMILESCCCc1cccc(-c2cc(NC(=O)C3CNC(=O)C3)n[nH]2)c1
InChIInChI=1S/C17H20N4O2/c1-2-4-11-5-3-6-12(7-11)14-9-15(21-20-14)19-17(23)13-8-16(22)18-10-13/h3,5-7,9,13H,2,4,8,10H2,1H3,(H,18,22)(H2,19,20,21,23)
InChIKeyWDIYOICXMPAIDL-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.10
Rot. Bonds5

About 5-oxo-N-[5-(3-propylphenyl)-1H-pyrazol-3-yl]pyrrolidine-3-carboxamide

5-oxo-N-[5-(3-propylphenyl)-1H-pyrazol-3-yl]pyrrolidine-3-carboxamide (PubChem CID 89476854) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 5-oxo-N-[5-(3-propylphenyl)-1H-pyrazol-3-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[5-(3-propylphenyl)-1H-pyrazol-3-yl]pyrrolidine-3-carboxamide
PubChem CID89476854
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name5-oxo-N-[5-(3-propylphenyl)-1H-pyrazol-3-yl]pyrrolidine-3-carboxamide
SMILESCCCc1cccc(-c2cc(NC(=O)C3CNC(=O)C3)n[nH]2)c1
InChIInChI=1S/C17H20N4O2/c1-2-4-11-5-3-6-12(7-11)14-9-15(21-20-14)19-17(23)13-8-16(22)18-10-13/h3,5-7,9,13H,2,4,8,10H2,1H3,(H,18,22)(H2,19,20,21,23)
InChIKeyWDIYOICXMPAIDL-UHFFFAOYSA-N
XLogP2.10
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[1-benzyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89476663
(3S)-5-oxo-N-[5-(3-propylphenyl)-1-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 90656984
(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-(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
N-[5-(4-propylphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide
CID 18789328
(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)-N-[1-[4-fluoro-3-(2-methoxyethoxy)phenyl]-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89476607
N-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78981915
5-oxo-N-(3-phenylphenyl)pyrrolidine-3-carboxamide
CID 136542533

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[5-(3-propylphenyl)-1H-pyrazol-3-yl]pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-N-[5-(3-propylphenyl)-1H-pyrazol-3-yl]pyrrolidine-3-carboxamide (CID 89476854) is 5-oxo-N-[5-(3-propylphenyl)-1H-pyrazol-3-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-[5-(3-propylphenyl)-1H-pyrazol-3-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-[5-(3-propylphenyl)-1H-pyrazol-3-yl]pyrrolidine-3-carboxamide is CCCc1cccc(-c2cc(NC(=O)C3CNC(=O)C3)n[nH]2)c1.
What is the InChIKey of 5-oxo-N-[5-(3-propylphenyl)-1H-pyrazol-3-yl]pyrrolidine-3-carboxamide?
The InChIKey is WDIYOICXMPAIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-2-4-11-5-3-6-12(7-11)14-9-15(21-20-14)19-17(23)13-8-16(22)18-10-13/h3,5-7,9,13H,2,4,8,10H2,1H3,(H,18,22)(H2,19,20,21,23).
What are the key properties of 5-oxo-N-[5-(3-propylphenyl)-1H-pyrazol-3-yl]pyrrolidine-3-carboxamide?
5-oxo-N-[5-(3-propylphenyl)-1H-pyrazol-3-yl]pyrrolidine-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[5-(3-propylphenyl)-1H-pyrazol-3-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 89476854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).