1-[(3S)-3-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone

C15H18N4O — CID 125025088

IUPAC1-[(3S)-3-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@H](Cc2cccnc2-c2ccn[nH]2)C1
InChIInChI=1S/C15H18N4O/c1-11(20)19-8-5-12(10-19)9-13-3-2-6-16-15(13)14-4-7-17-18-14/h2-4,6-7,12H,5,8-10H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyZKBVIZYVSNWAPH-GFCCVEGCSA-N
MW270.34 g/mol
LogP1.88
Rot. Bonds3

About 1-[(3S)-3-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone

1-[(3S)-3-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone (PubChem CID 125025088) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-[(3S)-3-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone
PubChem CID125025088
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name1-[(3S)-3-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@H](Cc2cccnc2-c2ccn[nH]2)C1
InChIInChI=1S/C15H18N4O/c1-11(20)19-8-5-12(10-19)9-13-3-2-6-16-15(13)14-4-7-17-18-14/h2-4,6-7,12H,5,8-10H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyZKBVIZYVSNWAPH-GFCCVEGCSA-N
XLogP1.88
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3S)-3-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone
CID 124994449
1-[3-[[2-(2-propylpyrazol-3-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone
CID 110101944
1-[4-[(2-chloro-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 175662189
1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 124958196
1H-pyrazol-5-yl-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
CID 110098814
1-[3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 110102218
1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110254207
1-[(3R)-3-[[3-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 124974350
2,2-dimethyl-1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]propan-1-one
CID 124972146
2-methoxy-1-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone
CID 124984345
2-methoxy-1-[3-[[5-(1H-pyrazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 110101383
1-[(3S)-3-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 124961591

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone (CID 125025088) is 1-[(3S)-3-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone is CC(=O)N1CC[C@H](Cc2cccnc2-c2ccn[nH]2)C1.
What is the InChIKey of 1-[(3S)-3-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is ZKBVIZYVSNWAPH-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18N4O/c1-11(20)19-8-5-12(10-19)9-13-3-2-6-16-15(13)14-4-7-17-18-14/h2-4,6-7,12H,5,8-10H2,1H3,(H,17,18)/t12-/m1/s1.
What are the key properties of 1-[(3S)-3-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone?
1-[(3S)-3-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 270.34 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 125025088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).