(4,4-diethylazepan-1-yl)-(1-methylpyrazol-4-yl)methanone

C15H25N3O — CID 91651492

IUPAC(4,4-diethylazepan-1-yl)-(1-methylpyrazol-4-yl)methanone
SMILESCCC1(CC)CCCN(C(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C15H25N3O/c1-4-15(5-2)7-6-9-18(10-8-15)14(19)13-11-16-17(3)12-13/h11-12H,4-10H2,1-3H3
InChIKeySDAGRNSONNWSGE-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.85
Rot. Bonds3

About (4,4-diethylazepan-1-yl)-(1-methylpyrazol-4-yl)methanone

(4,4-diethylazepan-1-yl)-(1-methylpyrazol-4-yl)methanone (PubChem CID 91651492) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is (4,4-diethylazepan-1-yl)-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(4,4-diethylazepan-1-yl)-(1-methylpyrazol-4-yl)methanone
PubChem CID91651492
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name(4,4-diethylazepan-1-yl)-(1-methylpyrazol-4-yl)methanone
SMILESCCC1(CC)CCCN(C(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C15H25N3O/c1-4-15(5-2)7-6-9-18(10-8-15)14(19)13-11-16-17(3)12-13/h11-12H,4-10H2,1-3H3
InChIKeySDAGRNSONNWSGE-UHFFFAOYSA-N
XLogP2.85
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4,4-diethylazepan-1-yl)-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of (4,4-diethylazepan-1-yl)-(1-methylpyrazol-4-yl)methanone (CID 91651492) is (4,4-diethylazepan-1-yl)-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for (4,4-diethylazepan-1-yl)-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for (4,4-diethylazepan-1-yl)-(1-methylpyrazol-4-yl)methanone is CCC1(CC)CCCN(C(=O)c2cnn(C)c2)CC1.
What is the InChIKey of (4,4-diethylazepan-1-yl)-(1-methylpyrazol-4-yl)methanone?
The InChIKey is SDAGRNSONNWSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-15(5-2)7-6-9-18(10-8-15)14(19)13-11-16-17(3)12-13/h11-12H,4-10H2,1-3H3.
What are the key properties of (4,4-diethylazepan-1-yl)-(1-methylpyrazol-4-yl)methanone?
(4,4-diethylazepan-1-yl)-(1-methylpyrazol-4-yl)methanone has a molecular weight of 263.38 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-diethylazepan-1-yl)-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 91651492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).