3-(7-bicyclo[4.1.0]heptanyl)-1-methyl-4-propan-2-ylpyrazol-5-amine

C14H23N3 — CID 113490622

IUPAC3-(7-bicyclo[4.1.0]heptanyl)-1-methyl-4-propan-2-ylpyrazol-5-amine
SMILESCC(C)c1c(C2C3CCCCC32)nn(C)c1N
InChIInChI=1S/C14H23N3/c1-8(2)11-13(16-17(3)14(11)15)12-9-6-4-5-7-10(9)12/h8-10,12H,4-7,15H2,1-3H3
InChIKeyXMQSOPOUVDUNDQ-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.03
Rot. Bonds2

About 3-(7-bicyclo[4.1.0]heptanyl)-1-methyl-4-propan-2-ylpyrazol-5-amine

3-(7-bicyclo[4.1.0]heptanyl)-1-methyl-4-propan-2-ylpyrazol-5-amine (PubChem CID 113490622) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-(7-bicyclo[4.1.0]heptanyl)-1-methyl-4-propan-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name3-(7-bicyclo[4.1.0]heptanyl)-1-methyl-4-propan-2-ylpyrazol-5-amine
PubChem CID113490622
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name3-(7-bicyclo[4.1.0]heptanyl)-1-methyl-4-propan-2-ylpyrazol-5-amine
SMILESCC(C)c1c(C2C3CCCCC32)nn(C)c1N
InChIInChI=1S/C14H23N3/c1-8(2)11-13(16-17(3)14(11)15)12-9-6-4-5-7-10(9)12/h8-10,12H,4-7,15H2,1-3H3
InChIKeyXMQSOPOUVDUNDQ-UHFFFAOYSA-N
XLogP3.03
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(7-bicyclo[4.1.0]heptanyl)-1-methyl-4-propan-2-ylpyrazol-5-amine?
The IUPAC name of 3-(7-bicyclo[4.1.0]heptanyl)-1-methyl-4-propan-2-ylpyrazol-5-amine (CID 113490622) is 3-(7-bicyclo[4.1.0]heptanyl)-1-methyl-4-propan-2-ylpyrazol-5-amine.
What is the SMILES notation for 3-(7-bicyclo[4.1.0]heptanyl)-1-methyl-4-propan-2-ylpyrazol-5-amine?
The canonical SMILES for 3-(7-bicyclo[4.1.0]heptanyl)-1-methyl-4-propan-2-ylpyrazol-5-amine is CC(C)c1c(C2C3CCCCC32)nn(C)c1N.
What is the InChIKey of 3-(7-bicyclo[4.1.0]heptanyl)-1-methyl-4-propan-2-ylpyrazol-5-amine?
The InChIKey is XMQSOPOUVDUNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-8(2)11-13(16-17(3)14(11)15)12-9-6-4-5-7-10(9)12/h8-10,12H,4-7,15H2,1-3H3.
What are the key properties of 3-(7-bicyclo[4.1.0]heptanyl)-1-methyl-4-propan-2-ylpyrazol-5-amine?
3-(7-bicyclo[4.1.0]heptanyl)-1-methyl-4-propan-2-ylpyrazol-5-amine has a molecular weight of 233.36 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-bicyclo[4.1.0]heptanyl)-1-methyl-4-propan-2-ylpyrazol-5-amine is sourced from PubChem (CID 113490622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).