2-(3,5-dimethyl-1H-pyrazol-4-yl)azepane

C11H19N3 — CID 71695369

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)azepane
SMILESCc1n[nH]c(C)c1C1CCCCCN1
InChIInChI=1S/C11H19N3/c1-8-11(9(2)14-13-8)10-6-4-3-5-7-12-10/h10,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyQWQQOCFYULMGMI-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.23
Rot. Bonds1

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)azepane

2-(3,5-dimethyl-1H-pyrazol-4-yl)azepane (PubChem CID 71695369) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)azepane.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)azepane
PubChem CID71695369
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)azepane
SMILESCc1n[nH]c(C)c1C1CCCCCN1
InChIInChI=1S/C11H19N3/c1-8-11(9(2)14-13-8)10-6-4-3-5-7-12-10/h10,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyQWQQOCFYULMGMI-UHFFFAOYSA-N
XLogP2.23
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanamine
CID 3157469
Pyrazole, 4-ethyl-3,5-dipropyl-
CID 586388
(3,5-dimethyl-1H-pyrazol-4-ylmethyl)isopropylammonium chloride monohydrate
CID 139060191
3-Cyclopropyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 29893263
3,5-Diisopropyl-4-methyl-1h-pyrazole
CID 129765528
1-(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-yl)-N-methylmethanamine
CID 17998749
(2E)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N,2-dimethylbut-2-en-1-amine
CID 50978581
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4,4,4-trifluorobutan-2-amine
CID 50979543
9-[(3,5-Dimethyl-1H-pyrazol-4-YL)methyl]-3,9-diazaspiro[5.6]dodecane
CID 74248039
(2S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4,4,4-trifluorobutan-2-amine
CID 95225503
(4S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N,N-dimethylazepan-4-amine
CID 99927891
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-fluorocyclopentan-1-amine
CID 126775333

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)azepane?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)azepane (CID 71695369) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)azepane.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)azepane?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)azepane is Cc1n[nH]c(C)c1C1CCCCCN1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)azepane?
The InChIKey is QWQQOCFYULMGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-8-11(9(2)14-13-8)10-6-4-3-5-7-12-10/h10,12H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)azepane?
2-(3,5-dimethyl-1H-pyrazol-4-yl)azepane has a molecular weight of 193.29 g/mol, XLogP of 2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)azepane is sourced from PubChem (CID 71695369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).