N-[1-cyclohexyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide

C23H30N4O2 — CID 89476693

IUPACN-[1-cyclohexyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCc1cccc(-c2cc(NC(=O)C3CNC(=O)C3)nn2C2CCCCC2)c1
InChIInChI=1S/C23H30N4O2/c1-2-7-16-8-6-9-17(12-16)20-14-21(25-23(29)18-13-22(28)24-15-18)26-27(20)19-10-4-3-5-11-19/h6,8-9,12,14,18-19H,2-5,7,10-11,13,15H2,1H3,(H,24,28)(H,25,26,29)
InChIKeySZCLCGVTQXXXTJ-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.08
Rot. Bonds6

About N-[1-cyclohexyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide

N-[1-cyclohexyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 89476693) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[1-cyclohexyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-cyclohexyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID89476693
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-[1-cyclohexyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCc1cccc(-c2cc(NC(=O)C3CNC(=O)C3)nn2C2CCCCC2)c1
InChIInChI=1S/C23H30N4O2/c1-2-7-16-8-6-9-17(12-16)20-14-21(25-23(29)18-13-22(28)24-15-18)26-27(20)19-10-4-3-5-11-19/h6,8-9,12,14,18-19H,2-5,7,10-11,13,15H2,1H3,(H,24,28)(H,25,26,29)
InChIKeySZCLCGVTQXXXTJ-UHFFFAOYSA-N
XLogP4.08
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[1-cyclohexyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide (CID 89476693) is N-[1-cyclohexyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-cyclohexyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-cyclohexyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide is CCCc1cccc(-c2cc(NC(=O)C3CNC(=O)C3)nn2C2CCCCC2)c1.
What is the InChIKey of N-[1-cyclohexyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SZCLCGVTQXXXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-2-7-16-8-6-9-17(12-16)20-14-21(25-23(29)18-13-22(28)24-15-18)26-27(20)19-10-4-3-5-11-19/h6,8-9,12,14,18-19H,2-5,7,10-11,13,15H2,1H3,(H,24,28)(H,25,26,29).
What are the key properties of N-[1-cyclohexyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
N-[1-cyclohexyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclohexyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 89476693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).