[1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone

C14H24N4O2 — CID 62988630

IUPAC[1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone
SMILESCc1c(C(=O)N2CCCOC(C)C2)cnn1CCCN
InChIInChI=1S/C14H24N4O2/c1-11-10-17(6-4-8-20-11)14(19)13-9-16-18(12(13)2)7-3-5-15/h9,11H,3-8,10,15H2,1-2H3
InChIKeyXMGQSFTUMLWOAX-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.79
Rot. Bonds4

About [1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone

[1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone (PubChem CID 62988630) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is [1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone.

Molecular Properties

Compound Name[1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone
PubChem CID62988630
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name[1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone
SMILESCc1c(C(=O)N2CCCOC(C)C2)cnn1CCCN
InChIInChI=1S/C14H24N4O2/c1-11-10-17(6-4-8-20-11)14(19)13-9-16-18(12(13)2)7-3-5-15/h9,11H,3-8,10,15H2,1-2H3
InChIKeyXMGQSFTUMLWOAX-UHFFFAOYSA-N
XLogP0.79
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone with MolForge

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Related Compounds

[1-(3-aminopropyl)-5-methylpyrazol-4-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104957671
[1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(4,4-dimethylazepan-1-yl)methanone
CID 65283209
[1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107211825
4-[1-(3-aminopropyl)-5-methylpyrazole-4-carbonyl]-3-methylpiperazin-2-one
CID 63596109
[1-(3-aminopropyl)-5-methylpyrazol-4-yl]-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 62885886
[(2S)-2-(4-methylpentyl)morpholin-4-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone
CID 25373845
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-1,4-oxazepane-4-carboxamide
CID 146084708
(4-hydrazinyl-6-methyl-3-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 81256605
(2-fluorophenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62972888
(1,5-dimethylpyrazol-4-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207907
[3-(2-aminoethyl)piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 63767651
(2-amino-5-bromo-3-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 55141157

Frequently Asked Questions

What is the IUPAC name of [1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone?
The IUPAC name of [1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone (CID 62988630) is [1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone.
What is the SMILES notation for [1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone?
The canonical SMILES for [1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone is Cc1c(C(=O)N2CCCOC(C)C2)cnn1CCCN.
What is the InChIKey of [1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone?
The InChIKey is XMGQSFTUMLWOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-11-10-17(6-4-8-20-11)14(19)13-9-16-18(12(13)2)7-3-5-15/h9,11H,3-8,10,15H2,1-2H3.
What are the key properties of [1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone?
[1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone has a molecular weight of 280.37 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone is sourced from PubChem (CID 62988630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).