4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine

C14H15N5O — CID 43627422

IUPAC4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine
SMILESCCc1ccc(-c2noc(-c3cnn(C)c3N)n2)cc1
InChIInChI=1S/C14H15N5O/c1-3-9-4-6-10(7-5-9)13-17-14(20-18-13)11-8-16-19(2)12(11)15/h4-8H,3,15H2,1-2H3
InChIKeyNPJOOOQKAITYEG-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.28
Rot. Bonds3

About 4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine

4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine (PubChem CID 43627422) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine
PubChem CID43627422
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine
SMILESCCc1ccc(-c2noc(-c3cnn(C)c3N)n2)cc1
InChIInChI=1S/C14H15N5O/c1-3-9-4-6-10(7-5-9)13-17-14(20-18-13)11-8-16-19(2)12(11)15/h4-8H,3,15H2,1-2H3
InChIKeyNPJOOOQKAITYEG-UHFFFAOYSA-N
XLogP2.28
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine
CID 63840780
1-methyl-4-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine
CID 65130218
4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine
CID 65130936
4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine
CID 113291073
5-chloro-3-(4-ethylphenyl)-1,2,4-oxadiazole
CID 60984935
5-(1-methyl-5-propylpyrazol-4-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2807799
4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine
CID 65133960
3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525251
4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine
CID 116702488
4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1-methylpyrazol-5-amine
CID 54939679
1-methyl-4-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine
CID 65138161
3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline
CID 19330658

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine (CID 43627422) is 4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine is CCc1ccc(-c2noc(-c3cnn(C)c3N)n2)cc1.
What is the InChIKey of 4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine?
The InChIKey is NPJOOOQKAITYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-3-9-4-6-10(7-5-9)13-17-14(20-18-13)11-8-16-19(2)12(11)15/h4-8H,3,15H2,1-2H3.
What are the key properties of 4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine?
4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine has a molecular weight of 269.31 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 43627422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).