1-(2-methylphenyl)-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrazole-4-carboxamide

C18H22N4O2 — CID 95316080

IUPAC1-(2-methylphenyl)-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrazole-4-carboxamide
SMILESCc1ccccc1-n1cc(C(=O)N[C@H](C)CN2CCCC2=O)cn1
InChIInChI=1S/C18H22N4O2/c1-13-6-3-4-7-16(13)22-12-15(10-19-22)18(24)20-14(2)11-21-9-5-8-17(21)23/h3-4,6-7,10,12,14H,5,8-9,11H2,1-2H3,(H,20,24)/t14-/m1/s1
InChIKeyWNEKLQOYKABMAU-CQSZACIVSA-N
MW326.40 g/mol
LogP1.92
Rot. Bonds5

About 1-(2-methylphenyl)-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrazole-4-carboxamide

1-(2-methylphenyl)-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrazole-4-carboxamide (PubChem CID 95316080) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrazole-4-carboxamide
PubChem CID95316080
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1-(2-methylphenyl)-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrazole-4-carboxamide
SMILESCc1ccccc1-n1cc(C(=O)N[C@H](C)CN2CCCC2=O)cn1
InChIInChI=1S/C18H22N4O2/c1-13-6-3-4-7-16(13)22-12-15(10-19-22)18(24)20-14(2)11-21-9-5-8-17(21)23/h3-4,6-7,10,12,14H,5,8-9,11H2,1-2H3,(H,20,24)/t14-/m1/s1
InChIKeyWNEKLQOYKABMAU-CQSZACIVSA-N
XLogP1.92
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-(2-methylphenyl)-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrazole-4-carboxamide (CID 95316080) is 1-(2-methylphenyl)-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-methylphenyl)-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-methylphenyl)-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrazole-4-carboxamide is Cc1ccccc1-n1cc(C(=O)N[C@H](C)CN2CCCC2=O)cn1.
What is the InChIKey of 1-(2-methylphenyl)-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrazole-4-carboxamide?
The InChIKey is WNEKLQOYKABMAU-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13-6-3-4-7-16(13)22-12-15(10-19-22)18(24)20-14(2)11-21-9-5-8-17(21)23/h3-4,6-7,10,12,14H,5,8-9,11H2,1-2H3,(H,20,24)/t14-/m1/s1.
What are the key properties of 1-(2-methylphenyl)-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrazole-4-carboxamide?
1-(2-methylphenyl)-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrazole-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 95316080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).