1-(5-cycloheptyl-1H-pyrazol-4-yl)-N-methylethanamine

C13H23N3 — CID 105478392

IUPAC1-(5-cycloheptyl-1H-pyrazol-4-yl)-N-methylethanamine
SMILESCNC(C)c1cn[nH]c1C1CCCCCC1
InChIInChI=1S/C13H23N3/c1-10(14-2)12-9-15-16-13(12)11-7-5-3-4-6-8-11/h9-11,14H,3-8H2,1-2H3,(H,15,16)
InChIKeyHWLWPEAQYUPNFX-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.13
Rot. Bonds3

About 1-(5-cycloheptyl-1H-pyrazol-4-yl)-N-methylethanamine

1-(5-cycloheptyl-1H-pyrazol-4-yl)-N-methylethanamine (PubChem CID 105478392) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-(5-cycloheptyl-1H-pyrazol-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(5-cycloheptyl-1H-pyrazol-4-yl)-N-methylethanamine
PubChem CID105478392
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-(5-cycloheptyl-1H-pyrazol-4-yl)-N-methylethanamine
SMILESCNC(C)c1cn[nH]c1C1CCCCCC1
InChIInChI=1S/C13H23N3/c1-10(14-2)12-9-15-16-13(12)11-7-5-3-4-6-8-11/h9-11,14H,3-8H2,1-2H3,(H,15,16)
InChIKeyHWLWPEAQYUPNFX-UHFFFAOYSA-N
XLogP3.13
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-cycloundecyl-4-methyl-1H-pyrazole
CID 173176811
(3S)-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine
CID 96623523
1-(5-cyclobutyl-1H-pyrazol-4-yl)-N-methylmethanamine
CID 105432804
1-[1-(5-cyclopropyl-1H-pyrazol-4-yl)ethyl]piperazine
CID 83889597
1-(2-cycloheptyl-1,3-thiazol-5-yl)-N-methylethanamine
CID 65399762
2-(5-cyclobutyl-1H-pyrazol-4-yl)-N-methylethanamine
CID 105438351
1-(5-cycloheptyl-1,2,4-triazin-3-yl)-N-methylethanamine
CID 105495246
N'-(5-cyclohexyl-1H-pyrazol-4-yl)ethane-1,2-diamine
CID 117209801
4-chloro-5-cyclobutyl-1H-pyrazole
CID 119055024
1-(4-cyclohexylphenyl)-N-methylethanamine
CID 43484988
(3S)-1-[(2R)-2-phenylpropyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine
CID 98760298
5-cyclohexyl-N-[2-(4-ethylpiperazin-1-yl)propyl]-1H-pyrazole-4-carboxamide
CID 86798225

Frequently Asked Questions

What is the IUPAC name of 1-(5-cycloheptyl-1H-pyrazol-4-yl)-N-methylethanamine?
The IUPAC name of 1-(5-cycloheptyl-1H-pyrazol-4-yl)-N-methylethanamine (CID 105478392) is 1-(5-cycloheptyl-1H-pyrazol-4-yl)-N-methylethanamine.
What is the SMILES notation for 1-(5-cycloheptyl-1H-pyrazol-4-yl)-N-methylethanamine?
The canonical SMILES for 1-(5-cycloheptyl-1H-pyrazol-4-yl)-N-methylethanamine is CNC(C)c1cn[nH]c1C1CCCCCC1.
What is the InChIKey of 1-(5-cycloheptyl-1H-pyrazol-4-yl)-N-methylethanamine?
The InChIKey is HWLWPEAQYUPNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-10(14-2)12-9-15-16-13(12)11-7-5-3-4-6-8-11/h9-11,14H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 1-(5-cycloheptyl-1H-pyrazol-4-yl)-N-methylethanamine?
1-(5-cycloheptyl-1H-pyrazol-4-yl)-N-methylethanamine has a molecular weight of 221.35 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cycloheptyl-1H-pyrazol-4-yl)-N-methylethanamine is sourced from PubChem (CID 105478392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).