1-[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine

C9H13N5O — CID 121199999

IUPAC1-[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
SMILESCCn1cc(-c2noc(CNC)n2)cn1
InChIInChI=1S/C9H13N5O/c1-3-14-6-7(4-11-14)9-12-8(5-10-2)15-13-9/h4,6,10H,3,5H2,1-2H3
InChIKeyZLGWHNFHOWGQKV-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.67
Rot. Bonds4

About 1-[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine

1-[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine (PubChem CID 121199999) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 1-[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
PubChem CID121199999
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name1-[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
SMILESCCn1cc(-c2noc(CNC)n2)cn1
InChIInChI=1S/C9H13N5O/c1-3-14-6-7(4-11-14)9-12-8(5-10-2)15-13-9/h4,6,10H,3,5H2,1-2H3
InChIKeyZLGWHNFHOWGQKV-UHFFFAOYSA-N
XLogP0.67
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121022168
N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylmethoxyacetamide
CID 121022184
3-chloro-N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzenesulfonamide
CID 119104989
5-(1-ethylpyrazol-4-yl)-3-phenyl-1,2,4-oxadiazole
CID 19324429
N-methyl-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65196540
5-[(1-ethylpyrazol-4-yl)oxymethyl]-3-phenyl-1,2,4-oxadiazole
CID 99801203
N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanamine;dihydrochloride
CID 54592854
N-methyl-1-[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 91811891
5-[(dimethylsulfamoylamino)methyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
CID 121195101
2-(1-ethylpyrazol-4-yl)-N-methylpyrimidin-4-amine
CID 103570484
N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-4-carboxamide
CID 119104925
5-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one
CID 136666197

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine (CID 121199999) is 1-[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine is CCn1cc(-c2noc(CNC)n2)cn1.
What is the InChIKey of 1-[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine?
The InChIKey is ZLGWHNFHOWGQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-3-14-6-7(4-11-14)9-12-8(5-10-2)15-13-9/h4,6,10H,3,5H2,1-2H3.
What are the key properties of 1-[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine?
1-[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine has a molecular weight of 207.24 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 121199999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).