4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-dimethylpyrazol-5-amine

C12H20N4 — CID 62209773

IUPAC4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-dimethylpyrazol-5-amine
SMILESCc1nn(C)c(N)c1CN1CC2CCC1C2
InChIInChI=1S/C12H20N4/c1-8-11(12(13)15(2)14-8)7-16-6-9-3-4-10(16)5-9/h9-10H,3-7,13H2,1-2H3
InChIKeyFYZMSNOYEDDZNC-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.30
Rot. Bonds2

About 4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-dimethylpyrazol-5-amine

4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-dimethylpyrazol-5-amine (PubChem CID 62209773) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-dimethylpyrazol-5-amine.

Molecular Properties

Compound Name4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-dimethylpyrazol-5-amine
PubChem CID62209773
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-dimethylpyrazol-5-amine
SMILESCc1nn(C)c(N)c1CN1CC2CCC1C2
InChIInChI=1S/C12H20N4/c1-8-11(12(13)15(2)14-8)7-16-6-9-3-4-10(16)5-9/h9-10H,3-7,13H2,1-2H3
InChIKeyFYZMSNOYEDDZNC-UHFFFAOYSA-N
XLogP1.30
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-dimethylpyrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-dimethylpyrazol-5-amine?
The IUPAC name of 4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-dimethylpyrazol-5-amine (CID 62209773) is 4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-dimethylpyrazol-5-amine.
What is the SMILES notation for 4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-dimethylpyrazol-5-amine?
The canonical SMILES for 4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-dimethylpyrazol-5-amine is Cc1nn(C)c(N)c1CN1CC2CCC1C2.
What is the InChIKey of 4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-dimethylpyrazol-5-amine?
The InChIKey is FYZMSNOYEDDZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-8-11(12(13)15(2)14-8)7-16-6-9-3-4-10(16)5-9/h9-10H,3-7,13H2,1-2H3.
What are the key properties of 4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-dimethylpyrazol-5-amine?
4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-dimethylpyrazol-5-amine has a molecular weight of 220.32 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-dimethylpyrazol-5-amine is sourced from PubChem (CID 62209773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).