N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C18H20N4O2 — CID 47078496

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3cc(C4CC4)[nH]n3)CC2=O)cc1
InChIInChI=1S/C18H20N4O2/c1-11-2-6-14(7-3-11)22-10-13(8-17(22)23)18(24)19-16-9-15(20-21-16)12-4-5-12/h2-3,6-7,9,12-13H,4-5,8,10H2,1H3,(H2,19,20,21,24)
InChIKeyVIMCKOWJYLAXPK-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.59
Rot. Bonds4

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 47078496) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID47078496
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3cc(C4CC4)[nH]n3)CC2=O)cc1
InChIInChI=1S/C18H20N4O2/c1-11-2-6-14(7-3-11)22-10-13(8-17(22)23)18(24)19-16-9-15(20-21-16)12-4-5-12/h2-3,6-7,9,12-13H,4-5,8,10H2,1H3,(H2,19,20,21,24)
InChIKeyVIMCKOWJYLAXPK-UHFFFAOYSA-N
XLogP2.59
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 47078496) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)Nc3cc(C4CC4)[nH]n3)CC2=O)cc1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VIMCKOWJYLAXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-11-2-6-14(7-3-11)22-10-13(8-17(22)23)18(24)19-16-9-15(20-21-16)12-4-5-12/h2-3,6-7,9,12-13H,4-5,8,10H2,1H3,(H2,19,20,21,24).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 47078496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).