(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylpropanamide

C15H17N3O — CID 5330946

IUPAC(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylpropanamide
SMILESC[C@H](C(=O)Nc1cc(C2CC2)[nH]n1)c1ccccc1
InChIInChI=1S/C15H17N3O/c1-10(11-5-3-2-4-6-11)15(19)16-14-9-13(17-18-14)12-7-8-12/h2-6,9-10,12H,7-8H2,1H3,(H2,16,17,18,19)/t10-/m0/s1
InChIKeyXXLVWAXFJXMBMJ-JTQLQIEISA-N
MW255.32 g/mol
LogP3.03
Rot. Bonds4

About (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylpropanamide

(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylpropanamide (PubChem CID 5330946) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylpropanamide
PubChem CID5330946
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylpropanamide
SMILESC[C@H](C(=O)Nc1cc(C2CC2)[nH]n1)c1ccccc1
InChIInChI=1S/C15H17N3O/c1-10(11-5-3-2-4-6-11)15(19)16-14-9-13(17-18-14)12-7-8-12/h2-6,9-10,12H,7-8H2,1H3,(H2,16,17,18,19)/t10-/m0/s1
InChIKeyXXLVWAXFJXMBMJ-JTQLQIEISA-N
XLogP3.03
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylpropanamide?
The IUPAC name of (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylpropanamide (CID 5330946) is (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylpropanamide.
What is the SMILES notation for (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylpropanamide?
The canonical SMILES for (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylpropanamide is C[C@H](C(=O)Nc1cc(C2CC2)[nH]n1)c1ccccc1.
What is the InChIKey of (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylpropanamide?
The InChIKey is XXLVWAXFJXMBMJ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17N3O/c1-10(11-5-3-2-4-6-11)15(19)16-14-9-13(17-18-14)12-7-8-12/h2-6,9-10,12H,7-8H2,1H3,(H2,16,17,18,19)/t10-/m0/s1.
What are the key properties of (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylpropanamide?
(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylpropanamide has a molecular weight of 255.32 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylpropanamide is sourced from PubChem (CID 5330946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).