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

C10H17N3 — CID 103729377

IUPAC2-(1-methylpyrazol-3-yl)azepane
SMILESCn1ccc(C2CCCCCN2)n1
InChIInChI=1S/C10H17N3/c1-13-8-6-10(12-13)9-5-3-2-4-7-11-9/h6,8-9,11H,2-5,7H2,1H3
InChIKeyNZAKJBXVGNNGFT-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.62
Rot. Bonds1

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

2-(1-methylpyrazol-3-yl)azepane (PubChem CID 103729377) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-(1-methylpyrazol-3-yl)azepane.

Molecular Properties

Compound Name2-(1-methylpyrazol-3-yl)azepane
PubChem CID103729377
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-(1-methylpyrazol-3-yl)azepane
SMILESCn1ccc(C2CCCCCN2)n1
InChIInChI=1S/C10H17N3/c1-13-8-6-10(12-13)9-5-3-2-4-7-11-9/h6,8-9,11H,2-5,7H2,1H3
InChIKeyNZAKJBXVGNNGFT-UHFFFAOYSA-N
XLogP1.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylpyrazol-3-yl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928825
2-[1-(4-fluorophenyl)pyrazol-3-yl]piperidine
CID 175103281
2-[1-(4-fluorophenyl)pyrazol-3-yl]piperidine;hydrochloride
CID 175103280
2-(4-methyl-1,2,4-triazol-3-yl)azepane
CID 64562303
2-methyl-4-(1-methylpyrazol-3-yl)piperidine
CID 106781759
2-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 62406028
1-(1-methyl-3-piperidin-2-ylpyrazol-5-yl)ethanone
CID 115092631
2,3-dimethyl-6-piperidin-2-ylpyridine
CID 84662827
3-(azepan-2-yl)-5-(2-methylphenyl)-1,2-oxazole
CID 46785763
2-(1-methylpyrazol-4-yl)-5-[(2R)-piperidin-2-yl]pyridine
CID 124641020
2-(3-ethyl-1-methylpyrazol-5-yl)azepane
CID 81146779
2-(2,5-dimethyl-1,2,4-triazol-3-yl)azepane
CID 64562693

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-3-yl)azepane?
The IUPAC name of 2-(1-methylpyrazol-3-yl)azepane (CID 103729377) is 2-(1-methylpyrazol-3-yl)azepane.
What is the SMILES notation for 2-(1-methylpyrazol-3-yl)azepane?
The canonical SMILES for 2-(1-methylpyrazol-3-yl)azepane is Cn1ccc(C2CCCCCN2)n1.
What is the InChIKey of 2-(1-methylpyrazol-3-yl)azepane?
The InChIKey is NZAKJBXVGNNGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-13-8-6-10(12-13)9-5-3-2-4-7-11-9/h6,8-9,11H,2-5,7H2,1H3.
What are the key properties of 2-(1-methylpyrazol-3-yl)azepane?
2-(1-methylpyrazol-3-yl)azepane has a molecular weight of 179.27 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-3-yl)azepane is sourced from PubChem (CID 103729377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).