1-tert-butyl-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-5-propan-2-ylpyrazole-3-carboxamide

C22H30N4O3 — CID 47047172

IUPAC1-tert-butyl-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-5-propan-2-ylpyrazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)cc1N1CCCC1=O
InChIInChI=1S/C22H30N4O3/c1-14(2)17-13-16(24-26(17)22(3,4)5)21(28)23-15-9-10-19(29-6)18(12-15)25-11-7-8-20(25)27/h9-10,12-14H,7-8,11H2,1-6H3,(H,23,28)
InChIKeyKXLZWIVCIGUQDW-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.15
Rot. Bonds5

About 1-tert-butyl-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-5-propan-2-ylpyrazole-3-carboxamide

1-tert-butyl-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-5-propan-2-ylpyrazole-3-carboxamide (PubChem CID 47047172) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-tert-butyl-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-5-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-5-propan-2-ylpyrazole-3-carboxamide
PubChem CID47047172
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name1-tert-butyl-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-5-propan-2-ylpyrazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)cc1N1CCCC1=O
InChIInChI=1S/C22H30N4O3/c1-14(2)17-13-16(24-26(17)22(3,4)5)21(28)23-15-9-10-19(29-6)18(12-15)25-11-7-8-20(25)27/h9-10,12-14H,7-8,11H2,1-6H3,(H,23,28)
InChIKeyKXLZWIVCIGUQDW-UHFFFAOYSA-N
XLogP4.15
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dichloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687099
2-methoxy-3-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2-methyl-3-oxopropanoic acid
CID 146136090
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 71935216
3,5-dimethoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687052
(2S)-2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride
CID 119724577
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]pyridine-3-carboxamide
CID 35390097
2-amino-3-methoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
CID 120985846
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 35389984
3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]butanamide
CID 119724596
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 55838376
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 35387582
4-bromo-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687877

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-5-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of 1-tert-butyl-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-5-propan-2-ylpyrazole-3-carboxamide (CID 47047172) is 1-tert-butyl-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-5-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-5-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-5-propan-2-ylpyrazole-3-carboxamide is COc1ccc(NC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)cc1N1CCCC1=O.
What is the InChIKey of 1-tert-butyl-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-5-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is KXLZWIVCIGUQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-14(2)17-13-16(24-26(17)22(3,4)5)21(28)23-15-9-10-19(29-6)18(12-15)25-11-7-8-20(25)27/h9-10,12-14H,7-8,11H2,1-6H3,(H,23,28).
What are the key properties of 1-tert-butyl-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-5-propan-2-ylpyrazole-3-carboxamide?
1-tert-butyl-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-5-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-5-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 47047172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).