5-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine

C14H23N5O — CID 79225047

IUPAC5-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
SMILESCc1noc(C)c1C(C)Nc1c(N)c(C(C)C)nn1C
InChIInChI=1S/C14H23N5O/c1-7(2)13-12(15)14(19(6)17-13)16-8(3)11-9(4)18-20-10(11)5/h7-8,16H,15H2,1-6H3
InChIKeyLRDBGHYIQHQKAJ-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.90
Rot. Bonds4

About 5-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine

5-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine (PubChem CID 79225047) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 5-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
PubChem CID79225047
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name5-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
SMILESCc1noc(C)c1C(C)Nc1c(N)c(C(C)C)nn1C
InChIInChI=1S/C14H23N5O/c1-7(2)13-12(15)14(19(6)17-13)16-8(3)11-9(4)18-20-10(11)5/h7-8,16H,15H2,1-6H3
InChIKeyLRDBGHYIQHQKAJ-UHFFFAOYSA-N
XLogP2.90
TPSA81.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine (CID 79225047) is 5-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine is Cc1noc(C)c1C(C)Nc1c(N)c(C(C)C)nn1C.
What is the InChIKey of 5-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is LRDBGHYIQHQKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-7(2)13-12(15)14(19(6)17-13)16-8(3)11-9(4)18-20-10(11)5/h7-8,16H,15H2,1-6H3.
What are the key properties of 5-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
5-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 277.37 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 79225047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).