(1-methylpyrazol-4-yl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone

C16H20N4O — CID 125014760

IUPAC(1-methylpyrazol-4-yl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
SMILESCn1cc(C(=O)N2CCC[C@H]2CCc2ccncc2)cn1
InChIInChI=1S/C16H20N4O/c1-19-12-14(11-18-19)16(21)20-10-2-3-15(20)5-4-13-6-8-17-9-7-13/h6-9,11-12,15H,2-5,10H2,1H3/t15-/m0/s1
InChIKeyWOTIEFVCIMMOLR-HNNXBMFYSA-N
MW284.36 g/mol
LogP2.05
Rot. Bonds4

About (1-methylpyrazol-4-yl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone

(1-methylpyrazol-4-yl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone (PubChem CID 125014760) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
PubChem CID125014760
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name(1-methylpyrazol-4-yl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
SMILESCn1cc(C(=O)N2CCC[C@H]2CCc2ccncc2)cn1
InChIInChI=1S/C16H20N4O/c1-19-12-14(11-18-19)16(21)20-10-2-3-15(20)5-4-13-6-8-17-9-7-13/h6-9,11-12,15H,2-5,10H2,1H3/t15-/m0/s1
InChIKeyWOTIEFVCIMMOLR-HNNXBMFYSA-N
XLogP2.05
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 97139701
[2-(3-chloropropyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 63396194
[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 124969741
(6-pyrazol-1-yl-3-pyridinyl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
CID 124994294
(2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
CID 124994004
(1-methylpyrazol-4-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603553
[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-quinolin-6-ylmethanone
CID 124962989
[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 110103587
[2-[2-(2-methyl-4-pyridinyl)ethyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110103609
2-ethoxy-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone
CID 125006542
(2-ethylpyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 84514744
(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
CID 125005114

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1-methylpyrazol-4-yl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone (CID 125014760) is (1-methylpyrazol-4-yl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrazol-4-yl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-methylpyrazol-4-yl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone is Cn1cc(C(=O)N2CCC[C@H]2CCc2ccncc2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone?
The InChIKey is WOTIEFVCIMMOLR-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-19-12-14(11-18-19)16(21)20-10-2-3-15(20)5-4-13-6-8-17-9-7-13/h6-9,11-12,15H,2-5,10H2,1H3/t15-/m0/s1.
What are the key properties of (1-methylpyrazol-4-yl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone?
(1-methylpyrazol-4-yl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone has a molecular weight of 284.36 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 125014760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).