N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-phenylpropanamide

C21H24N4O — CID 91629292

IUPACN-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-phenylpropanamide
SMILESCc1nn(-c2ccccn2)c(C)c1CCNC(=O)CCc1ccccc1
InChIInChI=1S/C21H24N4O/c1-16-19(17(2)25(24-16)20-10-6-7-14-22-20)13-15-23-21(26)12-11-18-8-4-3-5-9-18/h3-10,14H,11-13,15H2,1-2H3,(H,23,26)
InChIKeyBESSKWDMVYGRLM-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.18
Rot. Bonds7

About N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-phenylpropanamide

N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-phenylpropanamide (PubChem CID 91629292) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-phenylpropanamide
PubChem CID91629292
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-phenylpropanamide
SMILESCc1nn(-c2ccccn2)c(C)c1CCNC(=O)CCc1ccccc1
InChIInChI=1S/C21H24N4O/c1-16-19(17(2)25(24-16)20-10-6-7-14-22-20)13-15-23-21(26)12-11-18-8-4-3-5-9-18/h3-10,14H,11-13,15H2,1-2H3,(H,23,26)
InChIKeyBESSKWDMVYGRLM-UHFFFAOYSA-N
XLogP3.18
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(2-phenylethyl)propanamide
CID 53069421
N-(3-aminophenyl)-3-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)propanamide
CID 84613542
N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-4-oxochromene-2-carboxamide
CID 91629299
N-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]pentanamide
CID 110717337
4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 90508127
N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide
CID 91629332
3-phenyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide
CID 122323629
N-benzyl-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 53069636
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 134039804
N-benzyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide
CID 90508109
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide
CID 135587917
2-[[ethylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]-N-(2-phenylethyl)acetamide
CID 111219921

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-phenylpropanamide (CID 91629292) is N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-phenylpropanamide is Cc1nn(-c2ccccn2)c(C)c1CCNC(=O)CCc1ccccc1.
What is the InChIKey of N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-phenylpropanamide?
The InChIKey is BESSKWDMVYGRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-16-19(17(2)25(24-16)20-10-6-7-14-22-20)13-15-23-21(26)12-11-18-8-4-3-5-9-18/h3-10,14H,11-13,15H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-phenylpropanamide?
N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-phenylpropanamide has a molecular weight of 348.45 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 91629292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).