N-(4-amino-1-methylpyrazol-5-yl)-2-phenylpropanamide

C13H16N4O — CID 114028697

IUPACN-(4-amino-1-methylpyrazol-5-yl)-2-phenylpropanamide
SMILESCC(C(=O)Nc1c(N)cnn1C)c1ccccc1
InChIInChI=1S/C13H16N4O/c1-9(10-6-4-3-5-7-10)13(18)16-12-11(14)8-15-17(12)2/h3-9H,14H2,1-2H3,(H,16,18)
InChIKeyBVLYDIMPJRDPRH-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.74
Rot. Bonds3

About N-(4-amino-1-methylpyrazol-5-yl)-2-phenylpropanamide

N-(4-amino-1-methylpyrazol-5-yl)-2-phenylpropanamide (PubChem CID 114028697) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-(4-amino-1-methylpyrazol-5-yl)-2-phenylpropanamide.

Molecular Properties

Compound NameN-(4-amino-1-methylpyrazol-5-yl)-2-phenylpropanamide
PubChem CID114028697
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-(4-amino-1-methylpyrazol-5-yl)-2-phenylpropanamide
SMILESCC(C(=O)Nc1c(N)cnn1C)c1ccccc1
InChIInChI=1S/C13H16N4O/c1-9(10-6-4-3-5-7-10)13(18)16-12-11(14)8-15-17(12)2/h3-9H,14H2,1-2H3,(H,16,18)
InChIKeyBVLYDIMPJRDPRH-UHFFFAOYSA-N
XLogP1.74
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-methylpyrazol-5-yl)-2-phenylpropanamide?
The IUPAC name of N-(4-amino-1-methylpyrazol-5-yl)-2-phenylpropanamide (CID 114028697) is N-(4-amino-1-methylpyrazol-5-yl)-2-phenylpropanamide.
What is the SMILES notation for N-(4-amino-1-methylpyrazol-5-yl)-2-phenylpropanamide?
The canonical SMILES for N-(4-amino-1-methylpyrazol-5-yl)-2-phenylpropanamide is CC(C(=O)Nc1c(N)cnn1C)c1ccccc1.
What is the InChIKey of N-(4-amino-1-methylpyrazol-5-yl)-2-phenylpropanamide?
The InChIKey is BVLYDIMPJRDPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9(10-6-4-3-5-7-10)13(18)16-12-11(14)8-15-17(12)2/h3-9H,14H2,1-2H3,(H,16,18).
What are the key properties of N-(4-amino-1-methylpyrazol-5-yl)-2-phenylpropanamide?
N-(4-amino-1-methylpyrazol-5-yl)-2-phenylpropanamide has a molecular weight of 244.30 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1-methylpyrazol-5-yl)-2-phenylpropanamide is sourced from PubChem (CID 114028697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).