(1-methyl-5-propan-2-ylpyrazol-3-yl)-pyrrolidin-1-ylmethanone

C12H19N3O — CID 59712183

IUPAC(1-methyl-5-propan-2-ylpyrazol-3-yl)-pyrrolidin-1-ylmethanone
SMILESCC(C)c1cc(C(=O)N2CCCC2)nn1C
InChIInChI=1S/C12H19N3O/c1-9(2)11-8-10(13-14(11)3)12(16)15-6-4-5-7-15/h8-9H,4-7H2,1-3H3
InChIKeyNLEIJWWVUHQEKU-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.78
Rot. Bonds2

About (1-methyl-5-propan-2-ylpyrazol-3-yl)-pyrrolidin-1-ylmethanone

(1-methyl-5-propan-2-ylpyrazol-3-yl)-pyrrolidin-1-ylmethanone (PubChem CID 59712183) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (1-methyl-5-propan-2-ylpyrazol-3-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(1-methyl-5-propan-2-ylpyrazol-3-yl)-pyrrolidin-1-ylmethanone
PubChem CID59712183
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(1-methyl-5-propan-2-ylpyrazol-3-yl)-pyrrolidin-1-ylmethanone
SMILESCC(C)c1cc(C(=O)N2CCCC2)nn1C
InChIInChI=1S/C12H19N3O/c1-9(2)11-8-10(13-14(11)3)12(16)15-6-4-5-7-15/h8-9H,4-7H2,1-3H3
InChIKeyNLEIJWWVUHQEKU-UHFFFAOYSA-N
XLogP1.78
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-5-propan-2-ylpyrazol-3-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (1-methyl-5-propan-2-ylpyrazol-3-yl)-pyrrolidin-1-ylmethanone (CID 59712183) is (1-methyl-5-propan-2-ylpyrazol-3-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (1-methyl-5-propan-2-ylpyrazol-3-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (1-methyl-5-propan-2-ylpyrazol-3-yl)-pyrrolidin-1-ylmethanone is CC(C)c1cc(C(=O)N2CCCC2)nn1C.
What is the InChIKey of (1-methyl-5-propan-2-ylpyrazol-3-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is NLEIJWWVUHQEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9(2)11-8-10(13-14(11)3)12(16)15-6-4-5-7-15/h8-9H,4-7H2,1-3H3.
What are the key properties of (1-methyl-5-propan-2-ylpyrazol-3-yl)-pyrrolidin-1-ylmethanone?
(1-methyl-5-propan-2-ylpyrazol-3-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 221.30 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-5-propan-2-ylpyrazol-3-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 59712183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).