2-(3-ethyl-1-methylpyrazol-5-yl)azepane

C12H21N3 — CID 81146779

IUPAC2-(3-ethyl-1-methylpyrazol-5-yl)azepane
SMILESCCc1cc(C2CCCCCN2)n(C)n1
InChIInChI=1S/C12H21N3/c1-3-10-9-12(15(2)14-10)11-7-5-4-6-8-13-11/h9,11,13H,3-8H2,1-2H3
InChIKeyNFXSFHIDIZVCRN-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.19
Rot. Bonds2

About 2-(3-ethyl-1-methylpyrazol-5-yl)azepane

2-(3-ethyl-1-methylpyrazol-5-yl)azepane (PubChem CID 81146779) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(3-ethyl-1-methylpyrazol-5-yl)azepane.

Molecular Properties

Compound Name2-(3-ethyl-1-methylpyrazol-5-yl)azepane
PubChem CID81146779
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-(3-ethyl-1-methylpyrazol-5-yl)azepane
SMILESCCc1cc(C2CCCCCN2)n(C)n1
InChIInChI=1S/C12H21N3/c1-3-10-9-12(15(2)14-10)11-7-5-4-6-8-13-11/h9,11,13H,3-8H2,1-2H3
InChIKeyNFXSFHIDIZVCRN-UHFFFAOYSA-N
XLogP2.19
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-ethyl-1-methylpyrazol-5-yl)azepane with MolForge

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

Launch Full Analysis

Related Compounds

1,3-dimethyl-5-[(2R)-pyrrolidin-2-yl]pyrazole
CID 42575745
3-(azepan-2-yl)-5-(1,3-diethylpyrazol-5-yl)-1,2,4-oxadiazole
CID 104541133
2-[3-(3-ethyl-1-methylpyrazol-5-yl)-2-methylpropyl]piperidine
CID 112745787
2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)piperidine
CID 62721773
1-methyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole
CID 83391956
3-ethyl-1-methyl-N-(2-piperidin-2-ylethyl)pyrazole-5-carboxamide
CID 66120526
2-(4-methyl-1,2,4-triazol-3-yl)azepane
CID 64562303
cyclohexyl-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 105076841
2-(4-methoxy-1-methylpyrazol-5-yl)piperidine
CID 114663133
2-(1-methylpyrazol-3-yl)azepane
CID 103729377
1-methyl-6-piperidin-2-ylpyrimidine-2,4-dione
CID 115026341
2-(2,5-dimethyl-1,2,4-triazol-3-yl)azepane
CID 64562693

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1-methylpyrazol-5-yl)azepane?
The IUPAC name of 2-(3-ethyl-1-methylpyrazol-5-yl)azepane (CID 81146779) is 2-(3-ethyl-1-methylpyrazol-5-yl)azepane.
What is the SMILES notation for 2-(3-ethyl-1-methylpyrazol-5-yl)azepane?
The canonical SMILES for 2-(3-ethyl-1-methylpyrazol-5-yl)azepane is CCc1cc(C2CCCCCN2)n(C)n1.
What is the InChIKey of 2-(3-ethyl-1-methylpyrazol-5-yl)azepane?
The InChIKey is NFXSFHIDIZVCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-10-9-12(15(2)14-10)11-7-5-4-6-8-13-11/h9,11,13H,3-8H2,1-2H3.
What are the key properties of 2-(3-ethyl-1-methylpyrazol-5-yl)azepane?
2-(3-ethyl-1-methylpyrazol-5-yl)azepane has a molecular weight of 207.32 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1-methylpyrazol-5-yl)azepane is sourced from PubChem (CID 81146779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).