[4-(1-cyclohexylcyclopropanecarbonyl)-1,4-diazepan-1-yl]-(1-cyclopentyl-5-methylpyrazol-4-yl)methanone

C25H38N4O2 — CID 166343622

IUPAC[4-(1-cyclohexylcyclopropanecarbonyl)-1,4-diazepan-1-yl]-(1-cyclopentyl-5-methylpyrazol-4-yl)methanone
SMILESCc1c(C(=O)N2CCCN(C(=O)C3(C4CCCCC4)CC3)CC2)cnn1C1CCCC1
InChIInChI=1S/C25H38N4O2/c1-19-22(18-26-29(19)21-10-5-6-11-21)23(30)27-14-7-15-28(17-16-27)24(31)25(12-13-25)20-8-3-2-4-9-20/h18,20-21H,2-17H2,1H3
InChIKeyUSJDOPQZIUTSAC-UHFFFAOYSA-N
MW426.61 g/mol
LogP4.34
Rot. Bonds4

About [4-(1-cyclohexylcyclopropanecarbonyl)-1,4-diazepan-1-yl]-(1-cyclopentyl-5-methylpyrazol-4-yl)methanone

[4-(1-cyclohexylcyclopropanecarbonyl)-1,4-diazepan-1-yl]-(1-cyclopentyl-5-methylpyrazol-4-yl)methanone (PubChem CID 166343622) has the molecular formula C25H38N4O2 and a molecular weight of 426.61 g/mol. Its IUPAC name is [4-(1-cyclohexylcyclopropanecarbonyl)-1,4-diazepan-1-yl]-(1-cyclopentyl-5-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(1-cyclohexylcyclopropanecarbonyl)-1,4-diazepan-1-yl]-(1-cyclopentyl-5-methylpyrazol-4-yl)methanone
PubChem CID166343622
Molecular FormulaC25H38N4O2
Molecular Weight426.61 g/mol
Exact Mass426.30
IUPAC Name[4-(1-cyclohexylcyclopropanecarbonyl)-1,4-diazepan-1-yl]-(1-cyclopentyl-5-methylpyrazol-4-yl)methanone
SMILESCc1c(C(=O)N2CCCN(C(=O)C3(C4CCCCC4)CC3)CC2)cnn1C1CCCC1
InChIInChI=1S/C25H38N4O2/c1-19-22(18-26-29(19)21-10-5-6-11-21)23(30)27-14-7-15-28(17-16-27)24(31)25(12-13-25)20-8-3-2-4-9-20/h18,20-21H,2-17H2,1H3
InChIKeyUSJDOPQZIUTSAC-UHFFFAOYSA-N
XLogP4.34
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.61
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(1-cyclohexylcyclopropanecarbonyl)-1,4-diazepan-1-yl]-(1-cyclopentyl-5-methylpyrazol-4-yl)methanone with MolForge

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Related Compounds

(1-cyclopentyl-5-methylpyrazol-4-yl)-(2-methyl-2-phenylmorpholin-4-yl)methanone
CID 126784537
cyclopentyl-[4-(1,5-dimethylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 135112462
2-[1-(1-cyclohexyl-5-methylpyrazole-4-carbonyl)azetidin-3-yl]acetonitrile
CID 146107759
N-[[1-(1-cyclopentyl-5-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]acetamide
CID 126776876
1-[4-[1-(1,1-dioxothiolan-3-yl)-5-methylpyrazole-4-carbonyl]piperazin-1-yl]ethanone
CID 110383617
[4-[(1-tert-butylpyrazol-4-yl)methyl]piperazin-1-yl]-(1-cyclopentyl-5-methylpyrazol-4-yl)methanone
CID 126771221
(1-cyclopentyl-5-methylpyrazol-4-yl)-[3-[2-(dimethylamino)ethyl]pyrrolidin-1-yl]methanone
CID 167946154
ethyl 1-cyclohexyl-5-methylpyrazole-4-carboxylate
CID 58861401
(1-cyclohexyl-5-methylpyrazol-4-yl)-(5-methoxy-1,3-dihydroisoindol-2-yl)methanone
CID 166241214
(1-cyclohexyl-5-methylpyrazol-4-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 128988276
(1-cyclopentyl-5-methylpyrazol-4-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 120949755
1-cyclopentyl-N-(1-cyclopentylethyl)-5-methylpyrazole-4-carboxamide
CID 126786160

Frequently Asked Questions

What is the IUPAC name of [4-(1-cyclohexylcyclopropanecarbonyl)-1,4-diazepan-1-yl]-(1-cyclopentyl-5-methylpyrazol-4-yl)methanone?
The IUPAC name of [4-(1-cyclohexylcyclopropanecarbonyl)-1,4-diazepan-1-yl]-(1-cyclopentyl-5-methylpyrazol-4-yl)methanone (CID 166343622) is [4-(1-cyclohexylcyclopropanecarbonyl)-1,4-diazepan-1-yl]-(1-cyclopentyl-5-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-(1-cyclohexylcyclopropanecarbonyl)-1,4-diazepan-1-yl]-(1-cyclopentyl-5-methylpyrazol-4-yl)methanone?
The canonical SMILES for [4-(1-cyclohexylcyclopropanecarbonyl)-1,4-diazepan-1-yl]-(1-cyclopentyl-5-methylpyrazol-4-yl)methanone is Cc1c(C(=O)N2CCCN(C(=O)C3(C4CCCCC4)CC3)CC2)cnn1C1CCCC1.
What is the InChIKey of [4-(1-cyclohexylcyclopropanecarbonyl)-1,4-diazepan-1-yl]-(1-cyclopentyl-5-methylpyrazol-4-yl)methanone?
The InChIKey is USJDOPQZIUTSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O2/c1-19-22(18-26-29(19)21-10-5-6-11-21)23(30)27-14-7-15-28(17-16-27)24(31)25(12-13-25)20-8-3-2-4-9-20/h18,20-21H,2-17H2,1H3.
What are the key properties of [4-(1-cyclohexylcyclopropanecarbonyl)-1,4-diazepan-1-yl]-(1-cyclopentyl-5-methylpyrazol-4-yl)methanone?
[4-(1-cyclohexylcyclopropanecarbonyl)-1,4-diazepan-1-yl]-(1-cyclopentyl-5-methylpyrazol-4-yl)methanone has a molecular weight of 426.61 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-cyclohexylcyclopropanecarbonyl)-1,4-diazepan-1-yl]-(1-cyclopentyl-5-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 166343622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).