trans-(1R,2R)-2-(2-phenylpyrazol-3-yl)cyclopropan-1-amine

C12H13N3 — CID 125129239

IUPACtrans-(1R,2R)-2-(2-phenylpyrazol-3-yl)cyclopropan-1-amine
SMILESN[C@@H]1C[C@H]1c1ccnn1-c1ccccc1
InChIInChI=1S/C12H13N3/c13-11-8-10(11)12-6-7-14-15(12)9-4-2-1-3-5-9/h1-7,10-11H,8,13H2/t10-,11-/m1/s1
InChIKeyULUNAKUGKIQXAL-GHMZBOCLSA-N
MW199.26 g/mol
LogP1.69
Rot. Bonds2

About trans-(1R,2R)-2-(2-phenylpyrazol-3-yl)cyclopropan-1-amine

trans-(1R,2R)-2-(2-phenylpyrazol-3-yl)cyclopropan-1-amine (PubChem CID 125129239) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2-phenylpyrazol-3-yl)cyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2-phenylpyrazol-3-yl)cyclopropan-1-amine
PubChem CID125129239
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Nametrans-(1R,2R)-2-(2-phenylpyrazol-3-yl)cyclopropan-1-amine
SMILESN[C@@H]1C[C@H]1c1ccnn1-c1ccccc1
InChIInChI=1S/C12H13N3/c13-11-8-10(11)12-6-7-14-15(12)9-4-2-1-3-5-9/h1-7,10-11H,8,13H2/t10-,11-/m1/s1
InChIKeyULUNAKUGKIQXAL-GHMZBOCLSA-N
XLogP1.69
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2-phenylpyrazol-3-yl)cyclopropan-1-amine?
The IUPAC name of trans-(1R,2R)-2-(2-phenylpyrazol-3-yl)cyclopropan-1-amine (CID 125129239) is trans-(1R,2R)-2-(2-phenylpyrazol-3-yl)cyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2R)-2-(2-phenylpyrazol-3-yl)cyclopropan-1-amine?
The canonical SMILES for trans-(1R,2R)-2-(2-phenylpyrazol-3-yl)cyclopropan-1-amine is N[C@@H]1C[C@H]1c1ccnn1-c1ccccc1.
What is the InChIKey of trans-(1R,2R)-2-(2-phenylpyrazol-3-yl)cyclopropan-1-amine?
The InChIKey is ULUNAKUGKIQXAL-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H13N3/c13-11-8-10(11)12-6-7-14-15(12)9-4-2-1-3-5-9/h1-7,10-11H,8,13H2/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(2-phenylpyrazol-3-yl)cyclopropan-1-amine?
trans-(1R,2R)-2-(2-phenylpyrazol-3-yl)cyclopropan-1-amine has a molecular weight of 199.26 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(2-phenylpyrazol-3-yl)cyclopropan-1-amine is sourced from PubChem (CID 125129239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).