2-(1,5-dimethylpyrazol-4-yl)azepane

C11H19N3 — CID 81147325

IUPAC2-(1,5-dimethylpyrazol-4-yl)azepane
SMILESCc1c(C2CCCCCN2)cnn1C
InChIInChI=1S/C11H19N3/c1-9-10(8-13-14(9)2)11-6-4-3-5-7-12-11/h8,11-12H,3-7H2,1-2H3
InChIKeyNWFHDVQAAOEJIR-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.93
Rot. Bonds1

About 2-(1,5-dimethylpyrazol-4-yl)azepane

2-(1,5-dimethylpyrazol-4-yl)azepane (PubChem CID 81147325) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-4-yl)azepane.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-4-yl)azepane
PubChem CID81147325
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-(1,5-dimethylpyrazol-4-yl)azepane
SMILESCc1c(C2CCCCCN2)cnn1C
InChIInChI=1S/C11H19N3/c1-9-10(8-13-14(9)2)11-6-4-3-5-7-12-11/h8,11-12H,3-7H2,1-2H3
InChIKeyNWFHDVQAAOEJIR-UHFFFAOYSA-N
XLogP1.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-dimethyl-4-[(2S)-pyrrolidin-2-yl]pyrazole
CID 96736955
1-methyl-4-pyrrolidin-2-ylpyrazol-5-amine
CID 163948603
5-(1,5-dimethylpyrazol-4-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916819
1,5-dimethyl-4-(2-methylpyrrolidin-3-yl)pyrazole
CID 79584030
2-(4-methoxy-1-methylpyrazol-5-yl)piperidine
CID 114663133
1,5-dimethyl-4-pyrrolidin-3-ylpyrazole
CID 79583940
4-(2,2-dimethylpyrrolidin-3-yl)-1,5-dimethylpyrazole
CID 79584128
2-(2,5-dimethyl-1,2,4-triazol-3-yl)azepane
CID 64562693
3-(1,5-dimethylpyrazol-4-yl)piperazin-2-one
CID 79583481
1-methyl-6-piperidin-2-ylindazole;hydrochloride
CID 154883669
2-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]piperidine
CID 115031695
1,3-dimethyl-5-[(2R)-pyrrolidin-2-yl]pyrazole
CID 42575745

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)azepane?
The IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)azepane (CID 81147325) is 2-(1,5-dimethylpyrazol-4-yl)azepane.
What is the SMILES notation for 2-(1,5-dimethylpyrazol-4-yl)azepane?
The canonical SMILES for 2-(1,5-dimethylpyrazol-4-yl)azepane is Cc1c(C2CCCCCN2)cnn1C.
What is the InChIKey of 2-(1,5-dimethylpyrazol-4-yl)azepane?
The InChIKey is NWFHDVQAAOEJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-9-10(8-13-14(9)2)11-6-4-3-5-7-12-11/h8,11-12H,3-7H2,1-2H3.
What are the key properties of 2-(1,5-dimethylpyrazol-4-yl)azepane?
2-(1,5-dimethylpyrazol-4-yl)azepane has a molecular weight of 193.29 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrazol-4-yl)azepane is sourced from PubChem (CID 81147325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).