3-cycloheptyl-1-methyl-4-pyridin-2-ylpyrazol-5-amine

C16H22N4 — CID 80521277

IUPAC3-cycloheptyl-1-methyl-4-pyridin-2-ylpyrazol-5-amine
SMILESCn1nc(C2CCCCCC2)c(-c2ccccn2)c1N
InChIInChI=1S/C16H22N4/c1-20-16(17)14(13-10-6-7-11-18-13)15(19-20)12-8-4-2-3-5-9-12/h6-7,10-12H,2-5,8-9,17H2,1H3
InChIKeyNEOPWHWSBZJVDO-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.50
Rot. Bonds2

About 3-cycloheptyl-1-methyl-4-pyridin-2-ylpyrazol-5-amine

3-cycloheptyl-1-methyl-4-pyridin-2-ylpyrazol-5-amine (PubChem CID 80521277) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-cycloheptyl-1-methyl-4-pyridin-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name3-cycloheptyl-1-methyl-4-pyridin-2-ylpyrazol-5-amine
PubChem CID80521277
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name3-cycloheptyl-1-methyl-4-pyridin-2-ylpyrazol-5-amine
SMILESCn1nc(C2CCCCCC2)c(-c2ccccn2)c1N
InChIInChI=1S/C16H22N4/c1-20-16(17)14(13-10-6-7-11-18-13)15(19-20)12-8-4-2-3-5-9-12/h6-7,10-12H,2-5,8-9,17H2,1H3
InChIKeyNEOPWHWSBZJVDO-UHFFFAOYSA-N
XLogP3.50
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cycloheptyl-1-methyl-4-pyridin-2-ylpyrazol-5-amine?
The IUPAC name of 3-cycloheptyl-1-methyl-4-pyridin-2-ylpyrazol-5-amine (CID 80521277) is 3-cycloheptyl-1-methyl-4-pyridin-2-ylpyrazol-5-amine.
What is the SMILES notation for 3-cycloheptyl-1-methyl-4-pyridin-2-ylpyrazol-5-amine?
The canonical SMILES for 3-cycloheptyl-1-methyl-4-pyridin-2-ylpyrazol-5-amine is Cn1nc(C2CCCCCC2)c(-c2ccccn2)c1N.
What is the InChIKey of 3-cycloheptyl-1-methyl-4-pyridin-2-ylpyrazol-5-amine?
The InChIKey is NEOPWHWSBZJVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-20-16(17)14(13-10-6-7-11-18-13)15(19-20)12-8-4-2-3-5-9-12/h6-7,10-12H,2-5,8-9,17H2,1H3.
What are the key properties of 3-cycloheptyl-1-methyl-4-pyridin-2-ylpyrazol-5-amine?
3-cycloheptyl-1-methyl-4-pyridin-2-ylpyrazol-5-amine has a molecular weight of 270.38 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptyl-1-methyl-4-pyridin-2-ylpyrazol-5-amine is sourced from PubChem (CID 80521277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).