2-[2-(2-methylpyrazol-3-yl)ethyl]azepane

C12H21N3 — CID 103015057

IUPAC2-[2-(2-methylpyrazol-3-yl)ethyl]azepane
SMILESCn1nccc1CCC1CCCCCN1
InChIInChI=1S/C12H21N3/c1-15-12(8-10-14-15)7-6-11-5-3-2-4-9-13-11/h8,10-11,13H,2-7,9H2,1H3
InChIKeyUQGPOYRCTCOAMA-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.88
Rot. Bonds3

About 2-[2-(2-methylpyrazol-3-yl)ethyl]azepane

2-[2-(2-methylpyrazol-3-yl)ethyl]azepane (PubChem CID 103015057) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-[2-(2-methylpyrazol-3-yl)ethyl]azepane.

Molecular Properties

Compound Name2-[2-(2-methylpyrazol-3-yl)ethyl]azepane
PubChem CID103015057
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-[2-(2-methylpyrazol-3-yl)ethyl]azepane
SMILESCn1nccc1CCC1CCCCCN1
InChIInChI=1S/C12H21N3/c1-15-12(8-10-14-15)7-6-11-5-3-2-4-9-13-11/h8,10-11,13H,2-7,9H2,1H3
InChIKeyUQGPOYRCTCOAMA-UHFFFAOYSA-N
XLogP1.88
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methylpyrazol-3-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106632084
1-methyl-5-[2-(pyrrolidin-2-ylmethoxy)ethyl]pyrazole
CID 103004046
N-[2-(2-methylpyrazol-3-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616829
2-(azepan-2-yl)-1-(2-methylpyrazol-3-yl)ethanone
CID 106758315
6-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-3-sulfonamide
CID 106777661
2-(2-pyridin-4-ylethyl)azepane
CID 104703875
N-(2-methylpyrazol-3-yl)-3-piperidin-2-ylpropanamide
CID 62211474
2-methyl-3-(2-pyrrolidin-2-ylethyl)-1H-pyrazol-5-one
CID 83847592
N-[2-(2-methylpyrazol-3-yl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 103004984
N-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 103004400
N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]cycloheptyl]methyl]ethanamine
CID 103020025
2-methyl-N-(pyrrolidin-2-ylmethyl)pyrazol-3-amine
CID 103542592

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpyrazol-3-yl)ethyl]azepane?
The IUPAC name of 2-[2-(2-methylpyrazol-3-yl)ethyl]azepane (CID 103015057) is 2-[2-(2-methylpyrazol-3-yl)ethyl]azepane.
What is the SMILES notation for 2-[2-(2-methylpyrazol-3-yl)ethyl]azepane?
The canonical SMILES for 2-[2-(2-methylpyrazol-3-yl)ethyl]azepane is Cn1nccc1CCC1CCCCCN1.
What is the InChIKey of 2-[2-(2-methylpyrazol-3-yl)ethyl]azepane?
The InChIKey is UQGPOYRCTCOAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-15-12(8-10-14-15)7-6-11-5-3-2-4-9-13-11/h8,10-11,13H,2-7,9H2,1H3.
What are the key properties of 2-[2-(2-methylpyrazol-3-yl)ethyl]azepane?
2-[2-(2-methylpyrazol-3-yl)ethyl]azepane has a molecular weight of 207.32 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpyrazol-3-yl)ethyl]azepane is sourced from PubChem (CID 103015057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).