cyclopentyl-[4-(1,5-dimethylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]methanone

C17H26N4O2 — CID 135112462

IUPACcyclopentyl-[4-(1,5-dimethylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]methanone
SMILESCc1c(C(=O)N2CCCN(C(=O)C3CCCC3)CC2)cnn1C
InChIInChI=1S/C17H26N4O2/c1-13-15(12-18-19(13)2)17(23)21-9-5-8-20(10-11-21)16(22)14-6-3-4-7-14/h12,14H,3-11H2,1-2H3
InChIKeyMIDPUBYNDIWFIG-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.59
Rot. Bonds2

About cyclopentyl-[4-(1,5-dimethylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]methanone

cyclopentyl-[4-(1,5-dimethylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]methanone (PubChem CID 135112462) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is cyclopentyl-[4-(1,5-dimethylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-(1,5-dimethylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]methanone
PubChem CID135112462
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Namecyclopentyl-[4-(1,5-dimethylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]methanone
SMILESCc1c(C(=O)N2CCCN(C(=O)C3CCCC3)CC2)cnn1C
InChIInChI=1S/C17H26N4O2/c1-13-15(12-18-19(13)2)17(23)21-9-5-8-20(10-11-21)16(22)14-6-3-4-7-14/h12,14H,3-11H2,1-2H3
InChIKeyMIDPUBYNDIWFIG-UHFFFAOYSA-N
XLogP1.59
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloropiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone
CID 63390631
cyclohexyl-[4-(1,2,5-trimethylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110807056
(3-bromopiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone
CID 80659902
[4-[1-(1,5-dimethylpyrazole-4-carbonyl)azepan-4-yl]piperidin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone
CID 138049108
1-[4-(1,5-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 47136455
[4-(1,5-dimethylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]-(3-methylphenyl)methanone
CID 36637274
cyclopropyl-[4-(1,2,5-trimethylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110806546
cyclobutyl-[4-(2,4,5-trimethylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110809344
(1,5-dimethylpyrazol-4-yl)-[4-(ethylamino)piperidin-1-yl]methanone
CID 60818934
(5-amino-1-methylpyrazol-4-yl)-(azocan-1-yl)methanone
CID 115330379
[2-(chloromethyl)piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 55188355
cyclopentyl-[4-(2-methoxy-4,5-dimethylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807493

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-(1,5-dimethylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-(1,5-dimethylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]methanone (CID 135112462) is cyclopentyl-[4-(1,5-dimethylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-(1,5-dimethylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-(1,5-dimethylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]methanone is Cc1c(C(=O)N2CCCN(C(=O)C3CCCC3)CC2)cnn1C.
What is the InChIKey of cyclopentyl-[4-(1,5-dimethylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]methanone?
The InChIKey is MIDPUBYNDIWFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-13-15(12-18-19(13)2)17(23)21-9-5-8-20(10-11-21)16(22)14-6-3-4-7-14/h12,14H,3-11H2,1-2H3.
What are the key properties of cyclopentyl-[4-(1,5-dimethylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]methanone?
cyclopentyl-[4-(1,5-dimethylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]methanone has a molecular weight of 318.42 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-(1,5-dimethylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 135112462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).