2-[1-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone

C18H25N5O2 — CID 75393461

IUPAC2-[1-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
SMILESCC(C)c1cc(C(=O)N2CCCC2CC(=O)c2cnn(C)c2)nn1C
InChIInChI=1S/C18H25N5O2/c1-12(2)16-9-15(20-22(16)4)18(25)23-7-5-6-14(23)8-17(24)13-10-19-21(3)11-13/h9-12,14H,5-8H2,1-4H3
InChIKeyYRJHIGGAQVNNST-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.15
Rot. Bonds5

About 2-[1-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone

2-[1-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone (PubChem CID 75393461) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[1-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2-[1-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
PubChem CID75393461
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name2-[1-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
SMILESCC(C)c1cc(C(=O)N2CCCC2CC(=O)c2cnn(C)c2)nn1C
InChIInChI=1S/C18H25N5O2/c1-12(2)16-9-15(20-22(16)4)18(25)23-7-5-6-14(23)8-17(24)13-10-19-21(3)11-13/h9-12,14H,5-8H2,1-4H3
InChIKeyYRJHIGGAQVNNST-UHFFFAOYSA-N
XLogP2.15
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone
CID 124687127
[(2S)-2-(aminomethyl)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone
CID 124573456
2-[1-(5-chloropyridine-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 75393457
2-[(2R)-1-(5-chloropyridine-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 97248069
2-[(2S)-1-[(1S,5S)-bicyclo[3.1.0]hexane-6-carbonyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 98248444
2-[(2S)-1-(cyclopentene-1-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 97248046
2-[1-(4-fluoro-3-methoxybenzoyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 75435113
2-[1-(imidazo[1,2-a]pyridine-7-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 75435138
2-[1-(2-cyclopropylcyclopropanecarbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 75393459
2-[1-(3-methoxythiophene-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 136516635
2-[(2R)-1-[(2S,3R)-3-methyloxolane-2-carbonyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 97248084
1-(1-methylpyrazol-4-yl)-2-[1-(5-nitrofuran-2-carbonyl)pyrrolidin-2-yl]ethanone
CID 75393455

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
The IUPAC name of 2-[1-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone (CID 75393461) is 2-[1-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone.
What is the SMILES notation for 2-[1-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
The canonical SMILES for 2-[1-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone is CC(C)c1cc(C(=O)N2CCCC2CC(=O)c2cnn(C)c2)nn1C.
What is the InChIKey of 2-[1-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
The InChIKey is YRJHIGGAQVNNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-12(2)16-9-15(20-22(16)4)18(25)23-7-5-6-14(23)8-17(24)13-10-19-21(3)11-13/h9-12,14H,5-8H2,1-4H3.
What are the key properties of 2-[1-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
2-[1-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone has a molecular weight of 343.43 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone is sourced from PubChem (CID 75393461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).