N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(4-cyanophenoxy)propanamide

C17H17N5O2 — CID 51096801

IUPACN-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(4-cyanophenoxy)propanamide
SMILESCc1cc(NC(=O)C(C)Oc2ccc(C#N)cc2)n(CCC#N)n1
InChIInChI=1S/C17H17N5O2/c1-12-10-16(22(21-12)9-3-8-18)20-17(23)13(2)24-15-6-4-14(11-19)5-7-15/h4-7,10,13H,3,9H2,1-2H3,(H,20,23)
InChIKeyQZVKRXMCTRIUMS-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.38
Rot. Bonds6

About N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(4-cyanophenoxy)propanamide

N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(4-cyanophenoxy)propanamide (PubChem CID 51096801) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(4-cyanophenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(4-cyanophenoxy)propanamide
PubChem CID51096801
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(4-cyanophenoxy)propanamide
SMILESCc1cc(NC(=O)C(C)Oc2ccc(C#N)cc2)n(CCC#N)n1
InChIInChI=1S/C17H17N5O2/c1-12-10-16(22(21-12)9-3-8-18)20-17(23)13(2)24-15-6-4-14(11-19)5-7-15/h4-7,10,13H,3,9H2,1-2H3,(H,20,23)
InChIKeyQZVKRXMCTRIUMS-UHFFFAOYSA-N
XLogP2.38
TPSA103.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(4-cyanophenoxy)propanamide
CID 55479906
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 47785235
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 71943624
(2R)-2-(4-cyanophenoxy)-N-(1-methylpyrazol-3-yl)propanamide
CID 25438347
2-(4-cyanophenoxy)-N-(2-hydroxyphenyl)propanamide
CID 46665197
[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 2-(4-cyanophenoxy)propanoate
CID 55366169
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
(2R)-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 95318638
(2R)-2-(4-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 30866427
(2R)-2-(4-cyanophenoxy)-N-(5-methyl-2-pyridinyl)propanamide
CID 40953055
(2S)-N-(4-cyanophenyl)-2-(3,4-dichlorophenoxy)propanamide
CID 7433052
(2R)-N-(2,5-dimethylpyrazol-3-yl)-2-(3-methylphenoxy)propanamide
CID 51937121

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(4-cyanophenoxy)propanamide?
The IUPAC name of N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(4-cyanophenoxy)propanamide (CID 51096801) is N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(4-cyanophenoxy)propanamide.
What is the SMILES notation for N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(4-cyanophenoxy)propanamide?
The canonical SMILES for N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(4-cyanophenoxy)propanamide is Cc1cc(NC(=O)C(C)Oc2ccc(C#N)cc2)n(CCC#N)n1.
What is the InChIKey of N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(4-cyanophenoxy)propanamide?
The InChIKey is QZVKRXMCTRIUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-12-10-16(22(21-12)9-3-8-18)20-17(23)13(2)24-15-6-4-14(11-19)5-7-15/h4-7,10,13H,3,9H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(4-cyanophenoxy)propanamide?
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(4-cyanophenoxy)propanamide has a molecular weight of 323.36 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(4-cyanophenoxy)propanamide is sourced from PubChem (CID 51096801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).