2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]pyrazol-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide

C20H26N6O2 — CID 123272066

IUPAC2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]pyrazol-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)Cn2cc(CCCc3cnc(N)[nH]3)cn2)cc1
InChIInChI=1S/C20H26N6O2/c1-28-18-7-5-15(6-8-18)9-10-22-19(27)14-26-13-16(11-24-26)3-2-4-17-12-23-20(21)25-17/h5-8,11-13H,2-4,9-10,14H2,1H3,(H,22,27)(H3,21,23,25)
InChIKeyPMFUANZZJGHJSE-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.73
Rot. Bonds10

About 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]pyrazol-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide

2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]pyrazol-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 123272066) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]pyrazol-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]pyrazol-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID123272066
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]pyrazol-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)Cn2cc(CCCc3cnc(N)[nH]3)cn2)cc1
InChIInChI=1S/C20H26N6O2/c1-28-18-7-5-15(6-8-18)9-10-22-19(27)14-26-13-16(11-24-26)3-2-4-17-12-23-20(21)25-17/h5-8,11-13H,2-4,9-10,14H2,1H3,(H,22,27)(H3,21,23,25)
InChIKeyPMFUANZZJGHJSE-UHFFFAOYSA-N
XLogP1.73
TPSA110.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]pyrazol-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide with MolForge

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Related Compounds

2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 52942112
2-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 110688801
2-(4-methoxyphenyl)-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]acetamide
CID 110666491
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 43249711
4-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 110297665
3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18107472
4-chloro-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 3613637
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2701039
N-[2-(4-methoxyphenyl)ethyl]-2-(3-methyl-2-oxopurin-7-yl)acetamide
CID 67501328
N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyphenyl)pentanamide
CID 110297832
2-amino-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 119299625
2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 4844140

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]pyrazol-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]pyrazol-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 123272066) is 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]pyrazol-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]pyrazol-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]pyrazol-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)Cn2cc(CCCc3cnc(N)[nH]3)cn2)cc1.
What is the InChIKey of 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]pyrazol-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is PMFUANZZJGHJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-28-18-7-5-15(6-8-18)9-10-22-19(27)14-26-13-16(11-24-26)3-2-4-17-12-23-20(21)25-17/h5-8,11-13H,2-4,9-10,14H2,1H3,(H,22,27)(H3,21,23,25).
What are the key properties of 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]pyrazol-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]pyrazol-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 382.47 g/mol, XLogP of 1.73, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]pyrazol-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 123272066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).