1-[1-[1-(2,5-dimethylpyrazole-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one

C17H22N6O2 — CID 126948200

IUPAC1-[1-[1-(2,5-dimethylpyrazole-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
SMILESCc1cc(C(=O)N2CCC(n3cc(N4CCCC4=O)cn3)C2)n(C)n1
InChIInChI=1S/C17H22N6O2/c1-12-8-15(20(2)19-12)17(25)21-7-5-13(10-21)23-11-14(9-18-23)22-6-3-4-16(22)24/h8-9,11,13H,3-7,10H2,1-2H3
InChIKeyFHWJMLCDYFKKSG-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.14
Rot. Bonds3

About 1-[1-[1-(2,5-dimethylpyrazole-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one

1-[1-[1-(2,5-dimethylpyrazole-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one (PubChem CID 126948200) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[1-[1-(2,5-dimethylpyrazole-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[1-(2,5-dimethylpyrazole-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
PubChem CID126948200
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name1-[1-[1-(2,5-dimethylpyrazole-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
SMILESCc1cc(C(=O)N2CCC(n3cc(N4CCCC4=O)cn3)C2)n(C)n1
InChIInChI=1S/C17H22N6O2/c1-12-8-15(20(2)19-12)17(25)21-7-5-13(10-21)23-11-14(9-18-23)22-6-3-4-16(22)24/h8-9,11,13H,3-7,10H2,1-2H3
InChIKeyFHWJMLCDYFKKSG-UHFFFAOYSA-N
XLogP1.14
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948156
1-[1-[1-(1-methylindazole-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948210
1-[1-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948169
1-[1-[1-(4-bromothiophene-2-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948496
1-[1-[1-(1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948144
1-[1-[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948191
1-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
CID 126945570
1-[1-(1-propan-2-ylpyrrolidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
CID 126948262
1-[1-[1-(2-methyl-1,3-oxazole-4-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945247
1-[1-[1-(2-methyl-1,3-thiazole-4-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945193
1-[1-[1-(4-methyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945205
3-[4-(2-oxopyrrolidin-1-yl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 126948219

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(2,5-dimethylpyrazole-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[1-(2,5-dimethylpyrazole-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one (CID 126948200) is 1-[1-[1-(2,5-dimethylpyrazole-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[1-(2,5-dimethylpyrazole-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[1-(2,5-dimethylpyrazole-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one is Cc1cc(C(=O)N2CCC(n3cc(N4CCCC4=O)cn3)C2)n(C)n1.
What is the InChIKey of 1-[1-[1-(2,5-dimethylpyrazole-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
The InChIKey is FHWJMLCDYFKKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-12-8-15(20(2)19-12)17(25)21-7-5-13(10-21)23-11-14(9-18-23)22-6-3-4-16(22)24/h8-9,11,13H,3-7,10H2,1-2H3.
What are the key properties of 1-[1-[1-(2,5-dimethylpyrazole-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
1-[1-[1-(2,5-dimethylpyrazole-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one has a molecular weight of 342.40 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(2,5-dimethylpyrazole-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126948200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).