3-tert-butyl-1-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-5-carboxamide

C20H26N4O2 — CID 648690

IUPAC3-tert-butyl-1-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-5-carboxamide
SMILESCn1nc(C(C)(C)C)cc1C(=O)NCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H26N4O2/c1-20(2,3)17-12-16(23(4)22-17)19(26)21-13-14-7-9-15(10-8-14)24-11-5-6-18(24)25/h7-10,12H,5-6,11,13H2,1-4H3,(H,21,26)
InChIKeyYZLNFCWOZRTQAB-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.77
Rot. Bonds4

About 3-tert-butyl-1-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-5-carboxamide

3-tert-butyl-1-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-5-carboxamide (PubChem CID 648690) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-tert-butyl-1-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-1-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-5-carboxamide
PubChem CID648690
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name3-tert-butyl-1-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-5-carboxamide
SMILESCn1nc(C(C)(C)C)cc1C(=O)NCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H26N4O2/c1-20(2,3)17-12-16(23(4)22-17)19(26)21-13-14-7-9-15(10-8-14)24-11-5-6-18(24)25/h7-10,12H,5-6,11,13H2,1-4H3,(H,21,26)
InChIKeyYZLNFCWOZRTQAB-UHFFFAOYSA-N
XLogP2.77
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-5-carboxamide?
The IUPAC name of 3-tert-butyl-1-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-5-carboxamide (CID 648690) is 3-tert-butyl-1-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-tert-butyl-1-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-tert-butyl-1-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-5-carboxamide is Cn1nc(C(C)(C)C)cc1C(=O)NCc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 3-tert-butyl-1-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-5-carboxamide?
The InChIKey is YZLNFCWOZRTQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-20(2,3)17-12-16(23(4)22-17)19(26)21-13-14-7-9-15(10-8-14)24-11-5-6-18(24)25/h7-10,12H,5-6,11,13H2,1-4H3,(H,21,26).
What are the key properties of 3-tert-butyl-1-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-5-carboxamide?
3-tert-butyl-1-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-5-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 648690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).