5-(2,2-dimethylcyclohexyl)-4-pyridin-3-yl-1H-pyrazol-3-amine

C16H22N4 — CID 107179267

IUPAC5-(2,2-dimethylcyclohexyl)-4-pyridin-3-yl-1H-pyrazol-3-amine
SMILESCC1(C)CCCCC1c1[nH]nc(N)c1-c1cccnc1
InChIInChI=1S/C16H22N4/c1-16(2)8-4-3-7-12(16)14-13(15(17)20-19-14)11-6-5-9-18-10-11/h5-6,9-10,12H,3-4,7-8H2,1-2H3,(H3,17,19,20)
InChIKeyZZKSUFDPLVOWOZ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.74
Rot. Bonds2

About 5-(2,2-dimethylcyclohexyl)-4-pyridin-3-yl-1H-pyrazol-3-amine

5-(2,2-dimethylcyclohexyl)-4-pyridin-3-yl-1H-pyrazol-3-amine (PubChem CID 107179267) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 5-(2,2-dimethylcyclohexyl)-4-pyridin-3-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2,2-dimethylcyclohexyl)-4-pyridin-3-yl-1H-pyrazol-3-amine
PubChem CID107179267
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name5-(2,2-dimethylcyclohexyl)-4-pyridin-3-yl-1H-pyrazol-3-amine
SMILESCC1(C)CCCCC1c1[nH]nc(N)c1-c1cccnc1
InChIInChI=1S/C16H22N4/c1-16(2)8-4-3-7-12(16)14-13(15(17)20-19-14)11-6-5-9-18-10-11/h5-6,9-10,12H,3-4,7-8H2,1-2H3,(H3,17,19,20)
InChIKeyZZKSUFDPLVOWOZ-UHFFFAOYSA-N
XLogP3.74
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylcyclohexyl)-4-pyridin-3-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-(2,2-dimethylcyclohexyl)-4-pyridin-3-yl-1H-pyrazol-3-amine (CID 107179267) is 5-(2,2-dimethylcyclohexyl)-4-pyridin-3-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2,2-dimethylcyclohexyl)-4-pyridin-3-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2,2-dimethylcyclohexyl)-4-pyridin-3-yl-1H-pyrazol-3-amine is CC1(C)CCCCC1c1[nH]nc(N)c1-c1cccnc1.
What is the InChIKey of 5-(2,2-dimethylcyclohexyl)-4-pyridin-3-yl-1H-pyrazol-3-amine?
The InChIKey is ZZKSUFDPLVOWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-16(2)8-4-3-7-12(16)14-13(15(17)20-19-14)11-6-5-9-18-10-11/h5-6,9-10,12H,3-4,7-8H2,1-2H3,(H3,17,19,20).
What are the key properties of 5-(2,2-dimethylcyclohexyl)-4-pyridin-3-yl-1H-pyrazol-3-amine?
5-(2,2-dimethylcyclohexyl)-4-pyridin-3-yl-1H-pyrazol-3-amine has a molecular weight of 270.38 g/mol, XLogP of 3.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylcyclohexyl)-4-pyridin-3-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 107179267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).