N-[(1S)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1-(2-methylpropyl)pyrazol-4-amine

C13H20N4O — CID 164632918

IUPACN-[(1S)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1-(2-methylpropyl)pyrazol-4-amine
SMILESCc1cc([C@H](C)Nc2cnn(CC(C)C)c2)no1
InChIInChI=1S/C13H20N4O/c1-9(2)7-17-8-12(6-14-17)15-11(4)13-5-10(3)18-16-13/h5-6,8-9,11,15H,7H2,1-4H3/t11-/m0/s1
InChIKeyPMVYWWUAWXEJQE-NSHDSACASA-N
MW248.33 g/mol
LogP3.01
Rot. Bonds5

About N-[(1S)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1-(2-methylpropyl)pyrazol-4-amine

N-[(1S)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1-(2-methylpropyl)pyrazol-4-amine (PubChem CID 164632918) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[(1S)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1-(2-methylpropyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1-(2-methylpropyl)pyrazol-4-amine
PubChem CID164632918
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-[(1S)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1-(2-methylpropyl)pyrazol-4-amine
SMILESCc1cc([C@H](C)Nc2cnn(CC(C)C)c2)no1
InChIInChI=1S/C13H20N4O/c1-9(2)7-17-8-12(6-14-17)15-11(4)13-5-10(3)18-16-13/h5-6,8-9,11,15H,7H2,1-4H3/t11-/m0/s1
InChIKeyPMVYWWUAWXEJQE-NSHDSACASA-N
XLogP3.01
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1-(2-methylpropyl)pyrazol-4-amine?
The IUPAC name of N-[(1S)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1-(2-methylpropyl)pyrazol-4-amine (CID 164632918) is N-[(1S)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1-(2-methylpropyl)pyrazol-4-amine.
What is the SMILES notation for N-[(1S)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1-(2-methylpropyl)pyrazol-4-amine?
The canonical SMILES for N-[(1S)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1-(2-methylpropyl)pyrazol-4-amine is Cc1cc([C@H](C)Nc2cnn(CC(C)C)c2)no1.
What is the InChIKey of N-[(1S)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1-(2-methylpropyl)pyrazol-4-amine?
The InChIKey is PMVYWWUAWXEJQE-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N4O/c1-9(2)7-17-8-12(6-14-17)15-11(4)13-5-10(3)18-16-13/h5-6,8-9,11,15H,7H2,1-4H3/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1-(2-methylpropyl)pyrazol-4-amine?
N-[(1S)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1-(2-methylpropyl)pyrazol-4-amine has a molecular weight of 248.33 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1-(2-methylpropyl)pyrazol-4-amine is sourced from PubChem (CID 164632918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).