[1-(dimethylamino)cyclohexyl]-(2-propylpyrazol-3-yl)methanone

C15H25N3O — CID 79066194

IUPAC[1-(dimethylamino)cyclohexyl]-(2-propylpyrazol-3-yl)methanone
SMILESCCCn1nccc1C(=O)C1(N(C)C)CCCCC1
InChIInChI=1S/C15H25N3O/c1-4-12-18-13(8-11-16-18)14(19)15(17(2)3)9-6-5-7-10-15/h8,11H,4-7,9-10,12H2,1-3H3
InChIKeyKLYQYJMAUGTUIZ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.74
Rot. Bonds5

About [1-(dimethylamino)cyclohexyl]-(2-propylpyrazol-3-yl)methanone

[1-(dimethylamino)cyclohexyl]-(2-propylpyrazol-3-yl)methanone (PubChem CID 79066194) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is [1-(dimethylamino)cyclohexyl]-(2-propylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[1-(dimethylamino)cyclohexyl]-(2-propylpyrazol-3-yl)methanone
PubChem CID79066194
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name[1-(dimethylamino)cyclohexyl]-(2-propylpyrazol-3-yl)methanone
SMILESCCCn1nccc1C(=O)C1(N(C)C)CCCCC1
InChIInChI=1S/C15H25N3O/c1-4-12-18-13(8-11-16-18)14(19)15(17(2)3)9-6-5-7-10-15/h8,11H,4-7,9-10,12H2,1-3H3
InChIKeyKLYQYJMAUGTUIZ-UHFFFAOYSA-N
XLogP2.74
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)cyclohexyl]-(2-propylpyrazol-3-yl)methanone?
The IUPAC name of [1-(dimethylamino)cyclohexyl]-(2-propylpyrazol-3-yl)methanone (CID 79066194) is [1-(dimethylamino)cyclohexyl]-(2-propylpyrazol-3-yl)methanone.
What is the SMILES notation for [1-(dimethylamino)cyclohexyl]-(2-propylpyrazol-3-yl)methanone?
The canonical SMILES for [1-(dimethylamino)cyclohexyl]-(2-propylpyrazol-3-yl)methanone is CCCn1nccc1C(=O)C1(N(C)C)CCCCC1.
What is the InChIKey of [1-(dimethylamino)cyclohexyl]-(2-propylpyrazol-3-yl)methanone?
The InChIKey is KLYQYJMAUGTUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-12-18-13(8-11-16-18)14(19)15(17(2)3)9-6-5-7-10-15/h8,11H,4-7,9-10,12H2,1-3H3.
What are the key properties of [1-(dimethylamino)cyclohexyl]-(2-propylpyrazol-3-yl)methanone?
[1-(dimethylamino)cyclohexyl]-(2-propylpyrazol-3-yl)methanone has a molecular weight of 263.38 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)cyclohexyl]-(2-propylpyrazol-3-yl)methanone is sourced from PubChem (CID 79066194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).