1-[3-[[2-(2-propylpyrazol-3-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone

C18H24N4O — CID 110101944

IUPAC1-[3-[[2-(2-propylpyrazol-3-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone
SMILESCCCn1nccc1-c1ncccc1CC1CCN(C(C)=O)C1
InChIInChI=1S/C18H24N4O/c1-3-10-22-17(6-9-20-22)18-16(5-4-8-19-18)12-15-7-11-21(13-15)14(2)23/h4-6,8-9,15H,3,7,10-13H2,1-2H3
InChIKeyDGKIETFSGZHOLC-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.77
Rot. Bonds5

About 1-[3-[[2-(2-propylpyrazol-3-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone

1-[3-[[2-(2-propylpyrazol-3-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone (PubChem CID 110101944) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-[3-[[2-(2-propylpyrazol-3-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[[2-(2-propylpyrazol-3-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone
PubChem CID110101944
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1-[3-[[2-(2-propylpyrazol-3-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone
SMILESCCCn1nccc1-c1ncccc1CC1CCN(C(C)=O)C1
InChIInChI=1S/C18H24N4O/c1-3-10-22-17(6-9-20-22)18-16(5-4-8-19-18)12-15-7-11-21(13-15)14(2)23/h4-6,8-9,15H,3,7,10-13H2,1-2H3
InChIKeyDGKIETFSGZHOLC-UHFFFAOYSA-N
XLogP2.77
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine
CID 110101968
1-[(3S)-3-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone
CID 125025088
1-[(3S)-3-[[6-(2-propylpyrazol-3-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 124958306
1-[(3R)-3-[[3-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 124974350
1-[4-[(2-chloro-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 175662189
2,2-dimethyl-1-[3-[[6-(2-propylpyrazol-3-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]propan-1-one
CID 127246022
1-[(3S)-3-[[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 124949029
1-[(3S)-3-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 124961591
2,2-dimethyl-1-[3-[3-(2-propylpyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 110101549
5-[(1-methylpyrrolidin-3-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine
CID 110102056
1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110254207
3-[(1-acetylpyrrolidin-3-yl)methyl]-N-ethylpyrazine-2-carboxamide
CID 127248108

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[2-(2-propylpyrazol-3-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[3-[[2-(2-propylpyrazol-3-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone (CID 110101944) is 1-[3-[[2-(2-propylpyrazol-3-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[[2-(2-propylpyrazol-3-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[[2-(2-propylpyrazol-3-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone is CCCn1nccc1-c1ncccc1CC1CCN(C(C)=O)C1.
What is the InChIKey of 1-[3-[[2-(2-propylpyrazol-3-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is DGKIETFSGZHOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-3-10-22-17(6-9-20-22)18-16(5-4-8-19-18)12-15-7-11-21(13-15)14(2)23/h4-6,8-9,15H,3,7,10-13H2,1-2H3.
What are the key properties of 1-[3-[[2-(2-propylpyrazol-3-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone?
1-[3-[[2-(2-propylpyrazol-3-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 312.42 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[2-(2-propylpyrazol-3-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110101944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).