3-[(1S,6S)-3-bicyclo[4.1.0]heptanyl]-1-methylpyrazol-5-amine

C11H17N3 — CID 178191038

IUPAC3-[(1S,6S)-3-bicyclo[4.1.0]heptanyl]-1-methylpyrazol-5-amine
SMILESCn1nc(C2CC[C@H]3C[C@H]3C2)cc1N
InChIInChI=1S/C11H17N3/c1-14-11(12)6-10(13-14)8-3-2-7-4-9(7)5-8/h6-9H,2-5,12H2,1H3/t7-,8?,9-/m0/s1
InChIKeyHANXTSMCEGOTOM-SMOXQLQSSA-N
MW191.28 g/mol
LogP1.91
Rot. Bonds1

About 3-[(1S,6S)-3-bicyclo[4.1.0]heptanyl]-1-methylpyrazol-5-amine

3-[(1S,6S)-3-bicyclo[4.1.0]heptanyl]-1-methylpyrazol-5-amine (PubChem CID 178191038) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 3-[(1S,6S)-3-bicyclo[4.1.0]heptanyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-[(1S,6S)-3-bicyclo[4.1.0]heptanyl]-1-methylpyrazol-5-amine
PubChem CID178191038
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name3-[(1S,6S)-3-bicyclo[4.1.0]heptanyl]-1-methylpyrazol-5-amine
SMILESCn1nc(C2CC[C@H]3C[C@H]3C2)cc1N
InChIInChI=1S/C11H17N3/c1-14-11(12)6-10(13-14)8-3-2-7-4-9(7)5-8/h6-9H,2-5,12H2,1H3/t7-,8?,9-/m0/s1
InChIKeyHANXTSMCEGOTOM-SMOXQLQSSA-N
XLogP1.91
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S,6S)-3-bicyclo[4.1.0]heptanyl]-1-methylpyrazol-5-amine?
The IUPAC name of 3-[(1S,6S)-3-bicyclo[4.1.0]heptanyl]-1-methylpyrazol-5-amine (CID 178191038) is 3-[(1S,6S)-3-bicyclo[4.1.0]heptanyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-[(1S,6S)-3-bicyclo[4.1.0]heptanyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 3-[(1S,6S)-3-bicyclo[4.1.0]heptanyl]-1-methylpyrazol-5-amine is Cn1nc(C2CC[C@H]3C[C@H]3C2)cc1N.
What is the InChIKey of 3-[(1S,6S)-3-bicyclo[4.1.0]heptanyl]-1-methylpyrazol-5-amine?
The InChIKey is HANXTSMCEGOTOM-SMOXQLQSSA-N. The full InChI is InChI=1S/C11H17N3/c1-14-11(12)6-10(13-14)8-3-2-7-4-9(7)5-8/h6-9H,2-5,12H2,1H3/t7-,8?,9-/m0/s1.
What are the key properties of 3-[(1S,6S)-3-bicyclo[4.1.0]heptanyl]-1-methylpyrazol-5-amine?
3-[(1S,6S)-3-bicyclo[4.1.0]heptanyl]-1-methylpyrazol-5-amine has a molecular weight of 191.28 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,6S)-3-bicyclo[4.1.0]heptanyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 178191038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).