3,5-dimethyl-N-(8-tricyclo[5.2.1.02,6]decanyl)-1H-pyrazol-4-amine

C15H23N3 — CID 43547385

IUPAC3,5-dimethyl-N-(8-tricyclo[5.2.1.02,6]decanyl)-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NC1CC2CC1C1CCCC21
InChIInChI=1S/C15H23N3/c1-8-15(9(2)18-17-8)16-14-7-10-6-13(14)12-5-3-4-11(10)12/h10-14,16H,3-7H2,1-2H3,(H,17,18)
InChIKeyLXINXJFPRMHEBX-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.26
Rot. Bonds2

About 3,5-dimethyl-N-(8-tricyclo[5.2.1.02,6]decanyl)-1H-pyrazol-4-amine

3,5-dimethyl-N-(8-tricyclo[5.2.1.02,6]decanyl)-1H-pyrazol-4-amine (PubChem CID 43547385) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 3,5-dimethyl-N-(8-tricyclo[5.2.1.02,6]decanyl)-1H-pyrazol-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-(8-tricyclo[5.2.1.02,6]decanyl)-1H-pyrazol-4-amine
PubChem CID43547385
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name3,5-dimethyl-N-(8-tricyclo[5.2.1.02,6]decanyl)-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NC1CC2CC1C1CCCC21
InChIInChI=1S/C15H23N3/c1-8-15(9(2)18-17-8)16-14-7-10-6-13(14)12-5-3-4-11(10)12/h10-14,16H,3-7H2,1-2H3,(H,17,18)
InChIKeyLXINXJFPRMHEBX-UHFFFAOYSA-N
XLogP3.26
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(8-tricyclo[5.2.1.02,6]decanyl)-1H-pyrazol-4-amine?
The IUPAC name of 3,5-dimethyl-N-(8-tricyclo[5.2.1.02,6]decanyl)-1H-pyrazol-4-amine (CID 43547385) is 3,5-dimethyl-N-(8-tricyclo[5.2.1.02,6]decanyl)-1H-pyrazol-4-amine.
What is the SMILES notation for 3,5-dimethyl-N-(8-tricyclo[5.2.1.02,6]decanyl)-1H-pyrazol-4-amine?
The canonical SMILES for 3,5-dimethyl-N-(8-tricyclo[5.2.1.02,6]decanyl)-1H-pyrazol-4-amine is Cc1n[nH]c(C)c1NC1CC2CC1C1CCCC21.
What is the InChIKey of 3,5-dimethyl-N-(8-tricyclo[5.2.1.02,6]decanyl)-1H-pyrazol-4-amine?
The InChIKey is LXINXJFPRMHEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-8-15(9(2)18-17-8)16-14-7-10-6-13(14)12-5-3-4-11(10)12/h10-14,16H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 3,5-dimethyl-N-(8-tricyclo[5.2.1.02,6]decanyl)-1H-pyrazol-4-amine?
3,5-dimethyl-N-(8-tricyclo[5.2.1.02,6]decanyl)-1H-pyrazol-4-amine has a molecular weight of 245.37 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(8-tricyclo[5.2.1.02,6]decanyl)-1H-pyrazol-4-amine is sourced from PubChem (CID 43547385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).