trans-(1S,2R)-2-(1,5-dimethylpyrazol-4-yl)cyclopropan-1-amine

C8H13N3 — CID 124512028

IUPACtrans-(1S,2R)-2-(1,5-dimethylpyrazol-4-yl)cyclopropan-1-amine
SMILESCc1c([C@H]2C[C@@H]2N)cnn1C
InChIInChI=1S/C8H13N3/c1-5-7(4-10-11(5)2)6-3-8(6)9/h4,6,8H,3,9H2,1-2H3/t6-,8+/m1/s1
InChIKeyIHWXVESOTKBSJR-SVRRBLITSA-N
MW151.21 g/mol
LogP0.54
Rot. Bonds1

About trans-(1S,2R)-2-(1,5-dimethylpyrazol-4-yl)cyclopropan-1-amine

trans-(1S,2R)-2-(1,5-dimethylpyrazol-4-yl)cyclopropan-1-amine (PubChem CID 124512028) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is trans-(1S,2R)-2-(1,5-dimethylpyrazol-4-yl)cyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2R)-2-(1,5-dimethylpyrazol-4-yl)cyclopropan-1-amine
PubChem CID124512028
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Nametrans-(1S,2R)-2-(1,5-dimethylpyrazol-4-yl)cyclopropan-1-amine
SMILESCc1c([C@H]2C[C@@H]2N)cnn1C
InChIInChI=1S/C8H13N3/c1-5-7(4-10-11(5)2)6-3-8(6)9/h4,6,8H,3,9H2,1-2H3/t6-,8+/m1/s1
InChIKeyIHWXVESOTKBSJR-SVRRBLITSA-N
XLogP0.54
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-(1,5-dimethylpyrazol-4-yl)cyclopropan-1-amine?
The IUPAC name of trans-(1S,2R)-2-(1,5-dimethylpyrazol-4-yl)cyclopropan-1-amine (CID 124512028) is trans-(1S,2R)-2-(1,5-dimethylpyrazol-4-yl)cyclopropan-1-amine.
What is the SMILES notation for trans-(1S,2R)-2-(1,5-dimethylpyrazol-4-yl)cyclopropan-1-amine?
The canonical SMILES for trans-(1S,2R)-2-(1,5-dimethylpyrazol-4-yl)cyclopropan-1-amine is Cc1c([C@H]2C[C@@H]2N)cnn1C.
What is the InChIKey of trans-(1S,2R)-2-(1,5-dimethylpyrazol-4-yl)cyclopropan-1-amine?
The InChIKey is IHWXVESOTKBSJR-SVRRBLITSA-N. The full InChI is InChI=1S/C8H13N3/c1-5-7(4-10-11(5)2)6-3-8(6)9/h4,6,8H,3,9H2,1-2H3/t6-,8+/m1/s1.
What are the key properties of trans-(1S,2R)-2-(1,5-dimethylpyrazol-4-yl)cyclopropan-1-amine?
trans-(1S,2R)-2-(1,5-dimethylpyrazol-4-yl)cyclopropan-1-amine has a molecular weight of 151.21 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-(1,5-dimethylpyrazol-4-yl)cyclopropan-1-amine is sourced from PubChem (CID 124512028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).