1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cycloheptyl-N-methylpropan-2-amine

C16H28ClN3 — CID 105034892

IUPAC1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cycloheptyl-N-methylpropan-2-amine
SMILESCNC(Cc1c(C)nn(C)c1Cl)CC1CCCCCC1
InChIInChI=1S/C16H28ClN3/c1-12-15(16(17)20(3)19-12)11-14(18-2)10-13-8-6-4-5-7-9-13/h13-14,18H,4-11H2,1-3H3
InChIKeyDAYBVHRCFYSCMF-UHFFFAOYSA-N
MW297.87 g/mol
LogP3.87
Rot. Bonds5

About 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cycloheptyl-N-methylpropan-2-amine

1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cycloheptyl-N-methylpropan-2-amine (PubChem CID 105034892) has the molecular formula C16H28ClN3 and a molecular weight of 297.87 g/mol. Its IUPAC name is 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cycloheptyl-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cycloheptyl-N-methylpropan-2-amine
PubChem CID105034892
Molecular FormulaC16H28ClN3
Molecular Weight297.87 g/mol
Exact Mass297.20
IUPAC Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cycloheptyl-N-methylpropan-2-amine
SMILESCNC(Cc1c(C)nn(C)c1Cl)CC1CCCCCC1
InChIInChI=1S/C16H28ClN3/c1-12-15(16(17)20(3)19-12)11-14(18-2)10-13-8-6-4-5-7-9-13/h13-14,18H,4-11H2,1-3H3
InChIKeyDAYBVHRCFYSCMF-UHFFFAOYSA-N
XLogP3.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cycloheptylpropan-2-yl]hydrazine
CID 105333976
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cyclopentylpropan-2-ol
CID 115832460
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-1-(thiolan-2-yl)ethanamine
CID 113470323
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methylpent-4-en-2-amine
CID 116660558
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-4-(oxan-2-yl)butan-2-amine
CID 105035142
N-methyl-1-(oxan-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105138618
[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-ethylcyclohexyl)ethyl]hydrazine
CID 105233011
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-5,5,5-trifluoro-N-methylpentan-2-amine
CID 113470313
1-(7-bicyclo[4.1.0]heptanyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethylethanamine
CID 105034823
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine
CID 105034953
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-1-(1-methylcyclohexyl)ethanamine
CID 106830549
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-methoxyethoxy)-N-methylpropan-2-amine
CID 114032974

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cycloheptyl-N-methylpropan-2-amine?
The IUPAC name of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cycloheptyl-N-methylpropan-2-amine (CID 105034892) is 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cycloheptyl-N-methylpropan-2-amine.
What is the SMILES notation for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cycloheptyl-N-methylpropan-2-amine?
The canonical SMILES for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cycloheptyl-N-methylpropan-2-amine is CNC(Cc1c(C)nn(C)c1Cl)CC1CCCCCC1.
What is the InChIKey of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cycloheptyl-N-methylpropan-2-amine?
The InChIKey is DAYBVHRCFYSCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28ClN3/c1-12-15(16(17)20(3)19-12)11-14(18-2)10-13-8-6-4-5-7-9-13/h13-14,18H,4-11H2,1-3H3.
What are the key properties of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cycloheptyl-N-methylpropan-2-amine?
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cycloheptyl-N-methylpropan-2-amine has a molecular weight of 297.87 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cycloheptyl-N-methylpropan-2-amine is sourced from PubChem (CID 105034892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).