(2R)-4-[4-(2-methylpyrazol-3-yl)phenyl]butan-2-amine

C14H19N3 — CID 125424019

IUPAC(2R)-4-[4-(2-methylpyrazol-3-yl)phenyl]butan-2-amine
SMILESC[C@@H](N)CCc1ccc(-c2ccnn2C)cc1
InChIInChI=1S/C14H19N3/c1-11(15)3-4-12-5-7-13(8-6-12)14-9-10-16-17(14)2/h5-11H,3-4,15H2,1-2H3/t11-/m1/s1
InChIKeyVMCDQPAGVBWZPY-LLVKDONJSA-N
MW229.33 g/mol
LogP2.37
Rot. Bonds4

About (2R)-4-[4-(2-methylpyrazol-3-yl)phenyl]butan-2-amine

(2R)-4-[4-(2-methylpyrazol-3-yl)phenyl]butan-2-amine (PubChem CID 125424019) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is (2R)-4-[4-(2-methylpyrazol-3-yl)phenyl]butan-2-amine.

Molecular Properties

Compound Name(2R)-4-[4-(2-methylpyrazol-3-yl)phenyl]butan-2-amine
PubChem CID125424019
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name(2R)-4-[4-(2-methylpyrazol-3-yl)phenyl]butan-2-amine
SMILESC[C@@H](N)CCc1ccc(-c2ccnn2C)cc1
InChIInChI=1S/C14H19N3/c1-11(15)3-4-12-5-7-13(8-6-12)14-9-10-16-17(14)2/h5-11H,3-4,15H2,1-2H3/t11-/m1/s1
InChIKeyVMCDQPAGVBWZPY-LLVKDONJSA-N
XLogP2.37
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[4-(2-methylpyrazol-3-yl)phenyl]butan-2-amine?
The IUPAC name of (2R)-4-[4-(2-methylpyrazol-3-yl)phenyl]butan-2-amine (CID 125424019) is (2R)-4-[4-(2-methylpyrazol-3-yl)phenyl]butan-2-amine.
What is the SMILES notation for (2R)-4-[4-(2-methylpyrazol-3-yl)phenyl]butan-2-amine?
The canonical SMILES for (2R)-4-[4-(2-methylpyrazol-3-yl)phenyl]butan-2-amine is C[C@@H](N)CCc1ccc(-c2ccnn2C)cc1.
What is the InChIKey of (2R)-4-[4-(2-methylpyrazol-3-yl)phenyl]butan-2-amine?
The InChIKey is VMCDQPAGVBWZPY-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N3/c1-11(15)3-4-12-5-7-13(8-6-12)14-9-10-16-17(14)2/h5-11H,3-4,15H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-4-[4-(2-methylpyrazol-3-yl)phenyl]butan-2-amine?
(2R)-4-[4-(2-methylpyrazol-3-yl)phenyl]butan-2-amine has a molecular weight of 229.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[4-(2-methylpyrazol-3-yl)phenyl]butan-2-amine is sourced from PubChem (CID 125424019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).