(2-methylpyrrolidin-2-yl)-(2-propylpyrazol-3-yl)methanone

C12H19N3O — CID 116580459

IUPAC(2-methylpyrrolidin-2-yl)-(2-propylpyrazol-3-yl)methanone
SMILESCCCn1nccc1C(=O)C1(C)CCCN1
InChIInChI=1S/C12H19N3O/c1-3-9-15-10(5-8-14-15)11(16)12(2)6-4-7-13-12/h5,8,13H,3-4,6-7,9H2,1-2H3
InChIKeyKHQWKABDXUHYCJ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.62
Rot. Bonds4

About (2-methylpyrrolidin-2-yl)-(2-propylpyrazol-3-yl)methanone

(2-methylpyrrolidin-2-yl)-(2-propylpyrazol-3-yl)methanone (PubChem CID 116580459) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (2-methylpyrrolidin-2-yl)-(2-propylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(2-methylpyrrolidin-2-yl)-(2-propylpyrazol-3-yl)methanone
PubChem CID116580459
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(2-methylpyrrolidin-2-yl)-(2-propylpyrazol-3-yl)methanone
SMILESCCCn1nccc1C(=O)C1(C)CCCN1
InChIInChI=1S/C12H19N3O/c1-3-9-15-10(5-8-14-15)11(16)12(2)6-4-7-13-12/h5,8,13H,3-4,6-7,9H2,1-2H3
InChIKeyKHQWKABDXUHYCJ-UHFFFAOYSA-N
XLogP1.62
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(dimethylamino)cyclohexyl]-(2-propylpyrazol-3-yl)methanone
CID 79066194
[1-(dimethylamino)cycloheptyl]-(2-propylpyrazol-3-yl)methanone
CID 79074268
(1-methoxycyclopentyl)-(2-propylpyrazol-3-yl)methanone
CID 104610116
(4-methoxypiperidin-4-yl)-(2-propylpyrazol-3-yl)methanone
CID 114284479
(1-methoxycyclohexyl)-(2-propylpyrazol-3-yl)methanone
CID 116748199
(2-propylpyrazol-3-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone
CID 79060145
(2-ethylpyrazol-3-yl)-(2-ethylpyrrolidin-2-yl)methanone
CID 116608096
(1-phenylcyclopropyl)-(2-propylpyrazol-3-yl)methanone
CID 63975501
(1-ethoxy-4,4-dimethylcyclohexyl)-(2-propylpyrazol-3-yl)methanone
CID 116750146
2-propylpyrazole-3-carboxylic acid
CID 7017775
(2-ethyl-1,2,4-triazol-3-yl)-(2-methylpyrrolidin-2-yl)methanone
CID 130530173
morpholin-2-yl-(2-propylpyrazol-3-yl)methanone
CID 116561656

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrrolidin-2-yl)-(2-propylpyrazol-3-yl)methanone?
The IUPAC name of (2-methylpyrrolidin-2-yl)-(2-propylpyrazol-3-yl)methanone (CID 116580459) is (2-methylpyrrolidin-2-yl)-(2-propylpyrazol-3-yl)methanone.
What is the SMILES notation for (2-methylpyrrolidin-2-yl)-(2-propylpyrazol-3-yl)methanone?
The canonical SMILES for (2-methylpyrrolidin-2-yl)-(2-propylpyrazol-3-yl)methanone is CCCn1nccc1C(=O)C1(C)CCCN1.
What is the InChIKey of (2-methylpyrrolidin-2-yl)-(2-propylpyrazol-3-yl)methanone?
The InChIKey is KHQWKABDXUHYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-9-15-10(5-8-14-15)11(16)12(2)6-4-7-13-12/h5,8,13H,3-4,6-7,9H2,1-2H3.
What are the key properties of (2-methylpyrrolidin-2-yl)-(2-propylpyrazol-3-yl)methanone?
(2-methylpyrrolidin-2-yl)-(2-propylpyrazol-3-yl)methanone has a molecular weight of 221.30 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrrolidin-2-yl)-(2-propylpyrazol-3-yl)methanone is sourced from PubChem (CID 116580459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).