1-(2-pyrazol-1-ylphenyl)cyclopropan-1-amine

C12H13N3 — CID 82607471

IUPAC1-(2-pyrazol-1-ylphenyl)cyclopropan-1-amine
SMILESNC1(c2ccccc2-n2cccn2)CC1
InChIInChI=1S/C12H13N3/c13-12(6-7-12)10-4-1-2-5-11(10)15-9-3-8-14-15/h1-5,8-9H,6-7,13H2
InChIKeyYBLJZGYJDOIABQ-UHFFFAOYSA-N
MW199.26 g/mol
LogP1.82
Rot. Bonds2

About 1-(2-pyrazol-1-ylphenyl)cyclopropan-1-amine

1-(2-pyrazol-1-ylphenyl)cyclopropan-1-amine (PubChem CID 82607471) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 1-(2-pyrazol-1-ylphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(2-pyrazol-1-ylphenyl)cyclopropan-1-amine
PubChem CID82607471
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name1-(2-pyrazol-1-ylphenyl)cyclopropan-1-amine
SMILESNC1(c2ccccc2-n2cccn2)CC1
InChIInChI=1S/C12H13N3/c13-12(6-7-12)10-4-1-2-5-11(10)15-9-3-8-14-15/h1-5,8-9H,6-7,13H2
InChIKeyYBLJZGYJDOIABQ-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrazol-1-ylphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(2-pyrazol-1-ylphenyl)cyclopropan-1-amine (CID 82607471) is 1-(2-pyrazol-1-ylphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(2-pyrazol-1-ylphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(2-pyrazol-1-ylphenyl)cyclopropan-1-amine is NC1(c2ccccc2-n2cccn2)CC1.
What is the InChIKey of 1-(2-pyrazol-1-ylphenyl)cyclopropan-1-amine?
The InChIKey is YBLJZGYJDOIABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c13-12(6-7-12)10-4-1-2-5-11(10)15-9-3-8-14-15/h1-5,8-9H,6-7,13H2.
What are the key properties of 1-(2-pyrazol-1-ylphenyl)cyclopropan-1-amine?
1-(2-pyrazol-1-ylphenyl)cyclopropan-1-amine has a molecular weight of 199.26 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrazol-1-ylphenyl)cyclopropan-1-amine is sourced from PubChem (CID 82607471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).