1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylpyrazol-3-amine

C12H19N3 — CID 79552476

IUPAC1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylpyrazol-3-amine
SMILESCc1cn(CC2CC3CCC2C3)nc1N
InChIInChI=1S/C12H19N3/c1-8-6-15(14-12(8)13)7-11-5-9-2-3-10(11)4-9/h6,9-11H,2-5,7H2,1H3,(H2,13,14)
InChIKeyRLFWGUWPBBSUKM-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.21
Rot. Bonds2

About 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylpyrazol-3-amine

1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylpyrazol-3-amine (PubChem CID 79552476) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylpyrazol-3-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylpyrazol-3-amine
PubChem CID79552476
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylpyrazol-3-amine
SMILESCc1cn(CC2CC3CCC2C3)nc1N
InChIInChI=1S/C12H19N3/c1-8-6-15(14-12(8)13)7-11-5-9-2-3-10(11)4-9/h6,9-11H,2-5,7H2,1H3,(H2,13,14)
InChIKeyRLFWGUWPBBSUKM-UHFFFAOYSA-N
XLogP2.21
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylpyrazol-3-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylpyrazol-3-amine (CID 79552476) is 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylpyrazol-3-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylpyrazol-3-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylpyrazol-3-amine is Cc1cn(CC2CC3CCC2C3)nc1N.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylpyrazol-3-amine?
The InChIKey is RLFWGUWPBBSUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-8-6-15(14-12(8)13)7-11-5-9-2-3-10(11)4-9/h6,9-11H,2-5,7H2,1H3,(H2,13,14).
What are the key properties of 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylpyrazol-3-amine?
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylpyrazol-3-amine has a molecular weight of 205.30 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylpyrazol-3-amine is sourced from PubChem (CID 79552476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).