1-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-2-(3-methylpyrazol-1-yl)ethanone

C15H24N4O — CID 95751389

IUPAC1-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-2-(3-methylpyrazol-1-yl)ethanone
SMILESCc1ccn(CC(=O)N2CCCN(CC3CC3)CC2)n1
InChIInChI=1S/C15H24N4O/c1-13-5-8-19(16-13)12-15(20)18-7-2-6-17(9-10-18)11-14-3-4-14/h5,8,14H,2-4,6-7,9-12H2,1H3
InChIKeyOGZQCLBZZWIJEM-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.14
Rot. Bonds4

About 1-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-2-(3-methylpyrazol-1-yl)ethanone

1-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-2-(3-methylpyrazol-1-yl)ethanone (PubChem CID 95751389) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-2-(3-methylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-2-(3-methylpyrazol-1-yl)ethanone
PubChem CID95751389
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-2-(3-methylpyrazol-1-yl)ethanone
SMILESCc1ccn(CC(=O)N2CCCN(CC3CC3)CC2)n1
InChIInChI=1S/C15H24N4O/c1-13-5-8-19(16-13)12-15(20)18-7-2-6-17(9-10-18)11-14-3-4-14/h5,8,14H,2-4,6-7,9-12H2,1H3
InChIKeyOGZQCLBZZWIJEM-UHFFFAOYSA-N
XLogP1.14
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-2-(3-methylpyrazol-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-2-(3-methylpyrazol-1-yl)ethanone?
The IUPAC name of 1-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-2-(3-methylpyrazol-1-yl)ethanone (CID 95751389) is 1-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-2-(3-methylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-2-(3-methylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-2-(3-methylpyrazol-1-yl)ethanone is Cc1ccn(CC(=O)N2CCCN(CC3CC3)CC2)n1.
What is the InChIKey of 1-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-2-(3-methylpyrazol-1-yl)ethanone?
The InChIKey is OGZQCLBZZWIJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-13-5-8-19(16-13)12-15(20)18-7-2-6-17(9-10-18)11-14-3-4-14/h5,8,14H,2-4,6-7,9-12H2,1H3.
What are the key properties of 1-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-2-(3-methylpyrazol-1-yl)ethanone?
1-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-2-(3-methylpyrazol-1-yl)ethanone has a molecular weight of 276.38 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-2-(3-methylpyrazol-1-yl)ethanone is sourced from PubChem (CID 95751389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).