1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-amine

C8H11N5O — CID 107911742

IUPAC1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-amine
SMILESCc1nc(CNc2cnn(C)c2)no1
InChIInChI=1S/C8H11N5O/c1-6-11-8(12-14-6)4-9-7-3-10-13(2)5-7/h3,5,9H,4H2,1-2H3
InChIKeyLNLQEMUOXRSVRA-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.72
Rot. Bonds3

About 1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-amine

1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-amine (PubChem CID 107911742) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-amine
PubChem CID107911742
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-amine
SMILESCc1nc(CNc2cnn(C)c2)no1
InChIInChI=1S/C8H11N5O/c1-6-11-8(12-14-6)4-9-7-3-10-13(2)5-7/h3,5,9H,4H2,1-2H3
InChIKeyLNLQEMUOXRSVRA-UHFFFAOYSA-N
XLogP0.72
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103746517
2-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 106396565
4-bromo-2-methyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one
CID 113243855
2-[4-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methylamino]pyrazol-1-yl]ethanol
CID 110928800
1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 107234153
2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzonitrile
CID 114183772
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-4-amine;hydrochloride
CID 126963966
4-bromo-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103741978
3-iodo-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103746525
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzenesulfonamide
CID 106402805
2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]acetonitrile
CID 107911565
N,N-dimethyl-5-[[(1-methylpyrazol-4-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 115607960

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-amine (CID 107911742) is 1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-amine is Cc1nc(CNc2cnn(C)c2)no1.
What is the InChIKey of 1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-amine?
The InChIKey is LNLQEMUOXRSVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-6-11-8(12-14-6)4-9-7-3-10-13(2)5-7/h3,5,9H,4H2,1-2H3.
What are the key properties of 1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-amine?
1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-amine has a molecular weight of 193.21 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 107911742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).