(2,2-dimethylpyrrolidin-1-yl)-(1-methylpyrazol-3-yl)methanone

C11H17N3O — CID 141314396

IUPAC(2,2-dimethylpyrrolidin-1-yl)-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CCCC2(C)C)n1
InChIInChI=1S/C11H17N3O/c1-11(2)6-4-7-14(11)10(15)9-5-8-13(3)12-9/h5,8H,4,6-7H2,1-3H3
InChIKeyHIWZDMLKUJUXBS-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.43
Rot. Bonds1

About (2,2-dimethylpyrrolidin-1-yl)-(1-methylpyrazol-3-yl)methanone

(2,2-dimethylpyrrolidin-1-yl)-(1-methylpyrazol-3-yl)methanone (PubChem CID 141314396) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (2,2-dimethylpyrrolidin-1-yl)-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(2,2-dimethylpyrrolidin-1-yl)-(1-methylpyrazol-3-yl)methanone
PubChem CID141314396
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(2,2-dimethylpyrrolidin-1-yl)-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CCCC2(C)C)n1
InChIInChI=1S/C11H17N3O/c1-11(2)6-4-7-14(11)10(15)9-5-8-13(3)12-9/h5,8H,4,6-7H2,1-3H3
InChIKeyHIWZDMLKUJUXBS-UHFFFAOYSA-N
XLogP1.43
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,2-dimethylpyrrolidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone
CID 86768279
(1-methylpyrazol-3-yl)-piperidin-1-ylmethanone
CID 19577577
(2,2-dimethylpyrrolidin-1-yl)-[5-(methylamino)-2-pyridinyl]methanone
CID 104641276
(3R)-N,N,3-trimethyl-1-(1-methylpyrazole-3-carbonyl)piperidine-3-carboxamide
CID 95815536
1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(1-methylpyrazol-3-yl)methanone
CID 103860781
(2,2-dimethylpyrrolidin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone
CID 107375601
(4-methylpiperazin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 2172453
(2,2-dimethylpyrrolidin-1-yl)-[6-(methylamino)pyrazin-2-yl]methanone
CID 114035914
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-methylpyrazole-3-carboxamide
CID 103123164
(2,2-dimethylpyrrolidin-1-yl)-(4-hydroxyphenyl)methanone
CID 63218627
(3-methylazetidin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 123809651
[(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 95848592

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylpyrrolidin-1-yl)-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of (2,2-dimethylpyrrolidin-1-yl)-(1-methylpyrazol-3-yl)methanone (CID 141314396) is (2,2-dimethylpyrrolidin-1-yl)-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for (2,2-dimethylpyrrolidin-1-yl)-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for (2,2-dimethylpyrrolidin-1-yl)-(1-methylpyrazol-3-yl)methanone is Cn1ccc(C(=O)N2CCCC2(C)C)n1.
What is the InChIKey of (2,2-dimethylpyrrolidin-1-yl)-(1-methylpyrazol-3-yl)methanone?
The InChIKey is HIWZDMLKUJUXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-11(2)6-4-7-14(11)10(15)9-5-8-13(3)12-9/h5,8H,4,6-7H2,1-3H3.
What are the key properties of (2,2-dimethylpyrrolidin-1-yl)-(1-methylpyrazol-3-yl)methanone?
(2,2-dimethylpyrrolidin-1-yl)-(1-methylpyrazol-3-yl)methanone has a molecular weight of 207.28 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylpyrrolidin-1-yl)-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 141314396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).