N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-(2-propan-2-ylphenoxy)butanamide

C25H32N4O2 — CID 86894026

IUPACN-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-(2-propan-2-ylphenoxy)butanamide
SMILESCCC(Oc1ccccc1C(C)C)C(=O)NCCCc1cc(N)n(-c2ccccc2)n1
InChIInChI=1S/C25H32N4O2/c1-4-22(31-23-15-9-8-14-21(23)18(2)3)25(30)27-16-10-11-19-17-24(26)29(28-19)20-12-6-5-7-13-20/h5-9,12-15,17-18,22H,4,10-11,16,26H2,1-3H3,(H,27,30)
InChIKeyIGOMKFNJZLMRLM-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.48
Rot. Bonds10

About N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-(2-propan-2-ylphenoxy)butanamide

N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-(2-propan-2-ylphenoxy)butanamide (PubChem CID 86894026) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-(2-propan-2-ylphenoxy)butanamide.

Molecular Properties

Compound NameN-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-(2-propan-2-ylphenoxy)butanamide
PubChem CID86894026
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC NameN-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-(2-propan-2-ylphenoxy)butanamide
SMILESCCC(Oc1ccccc1C(C)C)C(=O)NCCCc1cc(N)n(-c2ccccc2)n1
InChIInChI=1S/C25H32N4O2/c1-4-22(31-23-15-9-8-14-21(23)18(2)3)25(30)27-16-10-11-19-17-24(26)29(28-19)20-12-6-5-7-13-20/h5-9,12-15,17-18,22H,4,10-11,16,26H2,1-3H3,(H,27,30)
InChIKeyIGOMKFNJZLMRLM-UHFFFAOYSA-N
XLogP4.48
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.48
H-Bond Donors ≤ 52
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
N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-methyl-3-(methylamino)propanamide
CID 119890557
3-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-methyl-3-phenylpropanamide
CID 119890535
(2S)-2-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-methylpentanamide;dihydrochloride
CID 119890586
(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]-3-piperidin-4-ylbutanamide
CID 119890563
1-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]cyclopentane-1-carboxamide
CID 119890537
(2S)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(2-propan-2-ylphenoxy)butanamide
CID 95330807
2-(2-butan-2-ylphenoxy)-N-hexadecylbutanamide
CID 17150566
3-heptyl-1-phenylpyrazol-5-amine
CID 43336725
N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
CID 120647153

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-(2-propan-2-ylphenoxy)butanamide?
The IUPAC name of N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-(2-propan-2-ylphenoxy)butanamide (CID 86894026) is N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-(2-propan-2-ylphenoxy)butanamide.
What is the SMILES notation for N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-(2-propan-2-ylphenoxy)butanamide?
The canonical SMILES for N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-(2-propan-2-ylphenoxy)butanamide is CCC(Oc1ccccc1C(C)C)C(=O)NCCCc1cc(N)n(-c2ccccc2)n1.
What is the InChIKey of N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-(2-propan-2-ylphenoxy)butanamide?
The InChIKey is IGOMKFNJZLMRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-4-22(31-23-15-9-8-14-21(23)18(2)3)25(30)27-16-10-11-19-17-24(26)29(28-19)20-12-6-5-7-13-20/h5-9,12-15,17-18,22H,4,10-11,16,26H2,1-3H3,(H,27,30).
What are the key properties of N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-(2-propan-2-ylphenoxy)butanamide?
N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-(2-propan-2-ylphenoxy)butanamide has a molecular weight of 420.56 g/mol, XLogP of 4.48, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-(2-propan-2-ylphenoxy)butanamide is sourced from PubChem (CID 86894026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).