N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-5-cyclopropyl-1-propylpyrazole-4-carboxamide

C20H23ClN4O2 — CID 138996410

IUPACN-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-5-cyclopropyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NC2CCN(c3ccc(Cl)cc3)C2=O)c1C1CC1
InChIInChI=1S/C20H23ClN4O2/c1-2-10-25-18(13-3-4-13)16(12-22-25)19(26)23-17-9-11-24(20(17)27)15-7-5-14(21)6-8-15/h5-8,12-13,17H,2-4,9-11H2,1H3,(H,23,26)
InChIKeyHQDQWLOAJVGMSZ-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.36
Rot. Bonds6

About N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-5-cyclopropyl-1-propylpyrazole-4-carboxamide

N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-5-cyclopropyl-1-propylpyrazole-4-carboxamide (PubChem CID 138996410) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-5-cyclopropyl-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-5-cyclopropyl-1-propylpyrazole-4-carboxamide
PubChem CID138996410
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC NameN-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-5-cyclopropyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NC2CCN(c3ccc(Cl)cc3)C2=O)c1C1CC1
InChIInChI=1S/C20H23ClN4O2/c1-2-10-25-18(13-3-4-13)16(12-22-25)19(26)23-17-9-11-24(20(17)27)15-7-5-14(21)6-8-15/h5-8,12-13,17H,2-4,9-11H2,1H3,(H,23,26)
InChIKeyHQDQWLOAJVGMSZ-UHFFFAOYSA-N
XLogP3.36
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-5-cyclopropyl-1-propylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-5-cyclopropyl-1-propylpyrazole-4-carboxamide (CID 138996410) is N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-5-cyclopropyl-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-5-cyclopropyl-1-propylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-5-cyclopropyl-1-propylpyrazole-4-carboxamide is CCCn1ncc(C(=O)NC2CCN(c3ccc(Cl)cc3)C2=O)c1C1CC1.
What is the InChIKey of N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-5-cyclopropyl-1-propylpyrazole-4-carboxamide?
The InChIKey is HQDQWLOAJVGMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c1-2-10-25-18(13-3-4-13)16(12-22-25)19(26)23-17-9-11-24(20(17)27)15-7-5-14(21)6-8-15/h5-8,12-13,17H,2-4,9-11H2,1H3,(H,23,26).
What are the key properties of N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-5-cyclopropyl-1-propylpyrazole-4-carboxamide?
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-5-cyclopropyl-1-propylpyrazole-4-carboxamide has a molecular weight of 386.88 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-5-cyclopropyl-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 138996410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).