(2S)-2-amino-N-(1,3-diphenylpyrazol-4-yl)propanamide

C18H18N4O — CID 46204447

IUPAC(2S)-2-amino-N-(1,3-diphenylpyrazol-4-yl)propanamide
SMILESC[C@H](N)C(=O)Nc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C18H18N4O/c1-13(19)18(23)20-16-12-22(15-10-6-3-7-11-15)21-17(16)14-8-4-2-5-9-14/h2-13H,19H2,1H3,(H,20,23)/t13-/m0/s1
InChIKeyFGMUSSGCWQFDSW-ZDUSSCGKSA-N
MW306.37 g/mol
LogP2.83
Rot. Bonds4

About (2S)-2-amino-N-(1,3-diphenylpyrazol-4-yl)propanamide

(2S)-2-amino-N-(1,3-diphenylpyrazol-4-yl)propanamide (PubChem CID 46204447) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is (2S)-2-amino-N-(1,3-diphenylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1,3-diphenylpyrazol-4-yl)propanamide
PubChem CID46204447
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name(2S)-2-amino-N-(1,3-diphenylpyrazol-4-yl)propanamide
SMILESC[C@H](N)C(=O)Nc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C18H18N4O/c1-13(19)18(23)20-16-12-22(15-10-6-3-7-11-15)21-17(16)14-8-4-2-5-9-14/h2-13H,19H2,1H3,(H,20,23)/t13-/m0/s1
InChIKeyFGMUSSGCWQFDSW-ZDUSSCGKSA-N
XLogP2.83
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1,3-diphenylpyrazol-4-yl)propanamide?
The IUPAC name of (2S)-2-amino-N-(1,3-diphenylpyrazol-4-yl)propanamide (CID 46204447) is (2S)-2-amino-N-(1,3-diphenylpyrazol-4-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(1,3-diphenylpyrazol-4-yl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(1,3-diphenylpyrazol-4-yl)propanamide is C[C@H](N)C(=O)Nc1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(1,3-diphenylpyrazol-4-yl)propanamide?
The InChIKey is FGMUSSGCWQFDSW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18N4O/c1-13(19)18(23)20-16-12-22(15-10-6-3-7-11-15)21-17(16)14-8-4-2-5-9-14/h2-13H,19H2,1H3,(H,20,23)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1,3-diphenylpyrazol-4-yl)propanamide?
(2S)-2-amino-N-(1,3-diphenylpyrazol-4-yl)propanamide has a molecular weight of 306.37 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1,3-diphenylpyrazol-4-yl)propanamide is sourced from PubChem (CID 46204447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).