(1-cyclohexylpyrazol-4-yl)-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone

C18H30N4O — CID 71927914

IUPAC(1-cyclohexylpyrazol-4-yl)-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone
SMILESCCC1CN(C(=O)c2cnn(C3CCCCC3)c2)CC1N(C)C
InChIInChI=1S/C18H30N4O/c1-4-14-11-21(13-17(14)20(2)3)18(23)15-10-19-22(12-15)16-8-6-5-7-9-16/h10,12,14,16-17H,4-9,11,13H2,1-3H3
InChIKeyOHJWYYPOVIZNDI-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.80
Rot. Bonds4

About (1-cyclohexylpyrazol-4-yl)-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone

(1-cyclohexylpyrazol-4-yl)-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone (PubChem CID 71927914) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is (1-cyclohexylpyrazol-4-yl)-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-cyclohexylpyrazol-4-yl)-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone
PubChem CID71927914
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC Name(1-cyclohexylpyrazol-4-yl)-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone
SMILESCCC1CN(C(=O)c2cnn(C3CCCCC3)c2)CC1N(C)C
InChIInChI=1S/C18H30N4O/c1-4-14-11-21(13-17(14)20(2)3)18(23)15-10-19-22(12-15)16-8-6-5-7-9-16/h10,12,14,16-17H,4-9,11,13H2,1-3H3
InChIKeyOHJWYYPOVIZNDI-UHFFFAOYSA-N
XLogP2.80
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-cyclohexylpyrazol-4-yl)-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone?
The IUPAC name of (1-cyclohexylpyrazol-4-yl)-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone (CID 71927914) is (1-cyclohexylpyrazol-4-yl)-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-cyclohexylpyrazol-4-yl)-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone?
The canonical SMILES for (1-cyclohexylpyrazol-4-yl)-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone is CCC1CN(C(=O)c2cnn(C3CCCCC3)c2)CC1N(C)C.
What is the InChIKey of (1-cyclohexylpyrazol-4-yl)-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone?
The InChIKey is OHJWYYPOVIZNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-4-14-11-21(13-17(14)20(2)3)18(23)15-10-19-22(12-15)16-8-6-5-7-9-16/h10,12,14,16-17H,4-9,11,13H2,1-3H3.
What are the key properties of (1-cyclohexylpyrazol-4-yl)-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone?
(1-cyclohexylpyrazol-4-yl)-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone has a molecular weight of 318.46 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexylpyrazol-4-yl)-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 71927914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).