3-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-methyl-3-phenylpropanamide

C22H27N5O — CID 119890535

IUPAC3-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-methyl-3-phenylpropanamide
SMILESCC(C(=O)NCCCc1cc(N)n(-c2ccccc2)n1)C(N)c1ccccc1
InChIInChI=1S/C22H27N5O/c1-16(21(24)17-9-4-2-5-10-17)22(28)25-14-8-11-18-15-20(23)27(26-18)19-12-6-3-7-13-19/h2-7,9-10,12-13,15-16,21H,8,11,14,23-24H2,1H3,(H,25,28)
InChIKeyARMRUOSZBHWPPO-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.84
Rot. Bonds8

About 3-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-methyl-3-phenylpropanamide

3-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-methyl-3-phenylpropanamide (PubChem CID 119890535) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-methyl-3-phenylpropanamide
PubChem CID119890535
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name3-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-methyl-3-phenylpropanamide
SMILESCC(C(=O)NCCCc1cc(N)n(-c2ccccc2)n1)C(N)c1ccccc1
InChIInChI=1S/C22H27N5O/c1-16(21(24)17-9-4-2-5-10-17)22(28)25-14-8-11-18-15-20(23)27(26-18)19-12-6-3-7-13-19/h2-7,9-10,12-13,15-16,21H,8,11,14,23-24H2,1H3,(H,25,28)
InChIKeyARMRUOSZBHWPPO-UHFFFAOYSA-N
XLogP2.84
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-3-methylbutanamide
CID 119890553
(2S)-2-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-3-methylbutanamide;dihydrochloride
CID 119890552
(2S)-2-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-methylpentanamide;dihydrochloride
CID 119890586
N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-methyl-3-(methylamino)propanamide
CID 119890557
4-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]pentanamide;dihydrochloride
CID 120565710
(2S)-2-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-methylsulfanylbutanamide;dihydrochloride
CID 119890522
N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-(methylamino)butanamide
CID 119890521
N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-(2-propan-2-ylphenoxy)butanamide
CID 86894026
1-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]cyclopentane-1-carboxamide
CID 119890537
N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119890576
N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-3-piperidin-4-ylbutanamide
CID 119890563
4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]butanoic acid
CID 80552213

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-methyl-3-phenylpropanamide (CID 119890535) is 3-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-methyl-3-phenylpropanamide is CC(C(=O)NCCCc1cc(N)n(-c2ccccc2)n1)C(N)c1ccccc1.
What is the InChIKey of 3-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-methyl-3-phenylpropanamide?
The InChIKey is ARMRUOSZBHWPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-16(21(24)17-9-4-2-5-10-17)22(28)25-14-8-11-18-15-20(23)27(26-18)19-12-6-3-7-13-19/h2-7,9-10,12-13,15-16,21H,8,11,14,23-24H2,1H3,(H,25,28).
What are the key properties of 3-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-methyl-3-phenylpropanamide?
3-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-methyl-3-phenylpropanamide has a molecular weight of 377.49 g/mol, XLogP of 2.84, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 119890535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).