[(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone

C16H21N5O — CID 124953187

IUPAC[(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone
SMILESCCn1cc(C(=O)N2CC[C@@H](c3nc(C)cc(C)n3)C2)cn1
InChIInChI=1S/C16H21N5O/c1-4-21-10-14(8-17-21)16(22)20-6-5-13(9-20)15-18-11(2)7-12(3)19-15/h7-8,10,13H,4-6,9H2,1-3H3/t13-/m1/s1
InChIKeyDTSHVKSPMGNLTP-CYBMUJFWSA-N
MW299.38 g/mol
LogP1.94
Rot. Bonds3

About [(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone

[(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone (PubChem CID 124953187) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is [(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone
PubChem CID124953187
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name[(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone
SMILESCCn1cc(C(=O)N2CC[C@@H](c3nc(C)cc(C)n3)C2)cn1
InChIInChI=1S/C16H21N5O/c1-4-21-10-14(8-17-21)16(22)20-6-5-13(9-20)15-18-11(2)7-12(3)19-15/h7-8,10,13H,4-6,9H2,1-3H3/t13-/m1/s1
InChIKeyDTSHVKSPMGNLTP-CYBMUJFWSA-N
XLogP1.94
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone with MolForge

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Related Compounds

(1-ethylpyrazol-4-yl)-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 175652313
[(3S)-3-aminopyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 119934311
3,9-diazabicyclo[4.2.1]nonan-3-yl-(1-ethylpyrazol-4-yl)methanone;hydrochloride
CID 119636568
1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 110269232
3-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-1-carboxylic acid
CID 91368528
[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 175652473
[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 110259339
(1-ethylpyrazol-4-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124980360
[3-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110270342
(1-ethylpyrazol-4-yl)-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 110113502
(1-ethylpyrazol-4-yl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone
CID 56714390
[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone?
The IUPAC name of [(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone (CID 124953187) is [(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone.
What is the SMILES notation for [(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone?
The canonical SMILES for [(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone is CCn1cc(C(=O)N2CC[C@@H](c3nc(C)cc(C)n3)C2)cn1.
What is the InChIKey of [(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone?
The InChIKey is DTSHVKSPMGNLTP-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N5O/c1-4-21-10-14(8-17-21)16(22)20-6-5-13(9-20)15-18-11(2)7-12(3)19-15/h7-8,10,13H,4-6,9H2,1-3H3/t13-/m1/s1.
What are the key properties of [(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone?
[(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone has a molecular weight of 299.38 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone is sourced from PubChem (CID 124953187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).