(2S)-2-(4-phenylpyrazol-1-yl)-N-propylpropanamide

C15H19N3O — CID 100830723

IUPAC(2S)-2-(4-phenylpyrazol-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)n1cc(-c2ccccc2)cn1
InChIInChI=1S/C15H19N3O/c1-3-9-16-15(19)12(2)18-11-14(10-17-18)13-7-5-4-6-8-13/h4-8,10-12H,3,9H2,1-2H3,(H,16,19)/t12-/m0/s1
InChIKeyBXAWEIUMAWPXRC-LBPRGKRZSA-N
MW257.34 g/mol
LogP2.64
Rot. Bonds5

About (2S)-2-(4-phenylpyrazol-1-yl)-N-propylpropanamide

(2S)-2-(4-phenylpyrazol-1-yl)-N-propylpropanamide (PubChem CID 100830723) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is (2S)-2-(4-phenylpyrazol-1-yl)-N-propylpropanamide.

Molecular Properties

Compound Name(2S)-2-(4-phenylpyrazol-1-yl)-N-propylpropanamide
PubChem CID100830723
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name(2S)-2-(4-phenylpyrazol-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)n1cc(-c2ccccc2)cn1
InChIInChI=1S/C15H19N3O/c1-3-9-16-15(19)12(2)18-11-14(10-17-18)13-7-5-4-6-8-13/h4-8,10-12H,3,9H2,1-2H3,(H,16,19)/t12-/m0/s1
InChIKeyBXAWEIUMAWPXRC-LBPRGKRZSA-N
XLogP2.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-phenylpyrazol-1-yl)-N-propylpropanamide?
The IUPAC name of (2S)-2-(4-phenylpyrazol-1-yl)-N-propylpropanamide (CID 100830723) is (2S)-2-(4-phenylpyrazol-1-yl)-N-propylpropanamide.
What is the SMILES notation for (2S)-2-(4-phenylpyrazol-1-yl)-N-propylpropanamide?
The canonical SMILES for (2S)-2-(4-phenylpyrazol-1-yl)-N-propylpropanamide is CCCNC(=O)[C@H](C)n1cc(-c2ccccc2)cn1.
What is the InChIKey of (2S)-2-(4-phenylpyrazol-1-yl)-N-propylpropanamide?
The InChIKey is BXAWEIUMAWPXRC-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-9-16-15(19)12(2)18-11-14(10-17-18)13-7-5-4-6-8-13/h4-8,10-12H,3,9H2,1-2H3,(H,16,19)/t12-/m0/s1.
What are the key properties of (2S)-2-(4-phenylpyrazol-1-yl)-N-propylpropanamide?
(2S)-2-(4-phenylpyrazol-1-yl)-N-propylpropanamide has a molecular weight of 257.34 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-phenylpyrazol-1-yl)-N-propylpropanamide is sourced from PubChem (CID 100830723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).