(2-propan-2-ylpyrazol-3-yl)-pyrrolidin-3-ylmethanone

C11H17N3O — CID 84734168

IUPAC(2-propan-2-ylpyrazol-3-yl)-pyrrolidin-3-ylmethanone
SMILESCC(C)n1nccc1C(=O)C1CCNC1
InChIInChI=1S/C11H17N3O/c1-8(2)14-10(4-6-13-14)11(15)9-3-5-12-7-9/h4,6,8-9,12H,3,5,7H2,1-2H3
InChIKeyVZUJDALEPDHXGD-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.26
Rot. Bonds3

About (2-propan-2-ylpyrazol-3-yl)-pyrrolidin-3-ylmethanone

(2-propan-2-ylpyrazol-3-yl)-pyrrolidin-3-ylmethanone (PubChem CID 84734168) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (2-propan-2-ylpyrazol-3-yl)-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name(2-propan-2-ylpyrazol-3-yl)-pyrrolidin-3-ylmethanone
PubChem CID84734168
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(2-propan-2-ylpyrazol-3-yl)-pyrrolidin-3-ylmethanone
SMILESCC(C)n1nccc1C(=O)C1CCNC1
InChIInChI=1S/C11H17N3O/c1-8(2)14-10(4-6-13-14)11(15)9-3-5-12-7-9/h4,6,8-9,12H,3,5,7H2,1-2H3
InChIKeyVZUJDALEPDHXGD-UHFFFAOYSA-N
XLogP1.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylpyrazol-3-yl)-pyrrolidin-3-ylmethanone
CID 116568222
N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide;hydrochloride
CID 119268271
(3-propan-2-ylimidazol-4-yl)-pyrrolidin-3-ylmethanone
CID 84734169
(4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanone
CID 83689928
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]piperidine-4-carboxamide;hydrochloride
CID 119269137
2-propan-2-ylpyrazole-3-carboxylate
CID 7276397
(2-methyltriazol-4-yl)-pyrrolidin-3-ylmethanone
CID 130603381
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-pyrrolidin-3-ylethanone
CID 116568448
(4-chloro-1-propan-2-ylpyrazol-5-yl)-piperidin-3-ylmethanone
CID 114668061
piperidin-3-yl-(3-propan-2-ylimidazol-4-yl)methanone
CID 84735301
furan-3-yl(pyrrolidin-3-yl)methanone
CID 116568441
pyridin-4-yl(pyrrolidin-3-yl)methanone;dihydrochloride
CID 91623851

Frequently Asked Questions

What is the IUPAC name of (2-propan-2-ylpyrazol-3-yl)-pyrrolidin-3-ylmethanone?
The IUPAC name of (2-propan-2-ylpyrazol-3-yl)-pyrrolidin-3-ylmethanone (CID 84734168) is (2-propan-2-ylpyrazol-3-yl)-pyrrolidin-3-ylmethanone.
What is the SMILES notation for (2-propan-2-ylpyrazol-3-yl)-pyrrolidin-3-ylmethanone?
The canonical SMILES for (2-propan-2-ylpyrazol-3-yl)-pyrrolidin-3-ylmethanone is CC(C)n1nccc1C(=O)C1CCNC1.
What is the InChIKey of (2-propan-2-ylpyrazol-3-yl)-pyrrolidin-3-ylmethanone?
The InChIKey is VZUJDALEPDHXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8(2)14-10(4-6-13-14)11(15)9-3-5-12-7-9/h4,6,8-9,12H,3,5,7H2,1-2H3.
What are the key properties of (2-propan-2-ylpyrazol-3-yl)-pyrrolidin-3-ylmethanone?
(2-propan-2-ylpyrazol-3-yl)-pyrrolidin-3-ylmethanone has a molecular weight of 207.28 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-ylpyrazol-3-yl)-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 84734168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).