1-methyl-5-N-(1,2-oxazol-5-ylmethyl)-3-propan-2-ylpyrazole-4,5-diamine

C11H17N5O — CID 114185816

IUPAC1-methyl-5-N-(1,2-oxazol-5-ylmethyl)-3-propan-2-ylpyrazole-4,5-diamine
SMILESCC(C)c1nn(C)c(NCc2ccno2)c1N
InChIInChI=1S/C11H17N5O/c1-7(2)10-9(12)11(16(3)15-10)13-6-8-4-5-14-17-8/h4-5,7,13H,6,12H2,1-3H3
InChIKeyGHXJJDODIJCSBG-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.73
Rot. Bonds4

About 1-methyl-5-N-(1,2-oxazol-5-ylmethyl)-3-propan-2-ylpyrazole-4,5-diamine

1-methyl-5-N-(1,2-oxazol-5-ylmethyl)-3-propan-2-ylpyrazole-4,5-diamine (PubChem CID 114185816) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-methyl-5-N-(1,2-oxazol-5-ylmethyl)-3-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name1-methyl-5-N-(1,2-oxazol-5-ylmethyl)-3-propan-2-ylpyrazole-4,5-diamine
PubChem CID114185816
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name1-methyl-5-N-(1,2-oxazol-5-ylmethyl)-3-propan-2-ylpyrazole-4,5-diamine
SMILESCC(C)c1nn(C)c(NCc2ccno2)c1N
InChIInChI=1S/C11H17N5O/c1-7(2)10-9(12)11(16(3)15-10)13-6-8-4-5-14-17-8/h4-5,7,13H,6,12H2,1-3H3
InChIKeyGHXJJDODIJCSBG-UHFFFAOYSA-N
XLogP1.73
TPSA81.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-3-propan-2-yl-5-N-(1H-pyrazol-5-ylmethyl)pyrazole-4,5-diamine
CID 66017428
1-methyl-3-propan-2-yl-5-N-(pyridazin-3-ylmethyl)pyrazole-4,5-diamine
CID 106894776
1-methyl-5-N-[(2-methylphenyl)methyl]-3-propan-2-ylpyrazole-4,5-diamine
CID 66017234
1-methyl-5-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine
CID 66011943
2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]acetic acid
CID 66019776
4-[[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]methyl]benzonitrile
CID 66019778
1-methyl-3-propan-2-yl-5-N-(2-pyridin-2-ylethyl)pyrazole-4,5-diamine
CID 66017201
5-N-(cyclopropylmethyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66018365
5-N-(2-methoxy-2-methylpropyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 104758808
1-methyl-N-(1,2-oxazol-5-ylmethyl)imidazol-2-amine
CID 106418901
2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-N-methylacetamide
CID 66018193
1-methyl-3-propan-2-yl-5-N-(4-propan-2-ylphenyl)pyrazole-4,5-diamine
CID 66018377

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-N-(1,2-oxazol-5-ylmethyl)-3-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 1-methyl-5-N-(1,2-oxazol-5-ylmethyl)-3-propan-2-ylpyrazole-4,5-diamine (CID 114185816) is 1-methyl-5-N-(1,2-oxazol-5-ylmethyl)-3-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 1-methyl-5-N-(1,2-oxazol-5-ylmethyl)-3-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 1-methyl-5-N-(1,2-oxazol-5-ylmethyl)-3-propan-2-ylpyrazole-4,5-diamine is CC(C)c1nn(C)c(NCc2ccno2)c1N.
What is the InChIKey of 1-methyl-5-N-(1,2-oxazol-5-ylmethyl)-3-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is GHXJJDODIJCSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-7(2)10-9(12)11(16(3)15-10)13-6-8-4-5-14-17-8/h4-5,7,13H,6,12H2,1-3H3.
What are the key properties of 1-methyl-5-N-(1,2-oxazol-5-ylmethyl)-3-propan-2-ylpyrazole-4,5-diamine?
1-methyl-5-N-(1,2-oxazol-5-ylmethyl)-3-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 235.29 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-N-(1,2-oxazol-5-ylmethyl)-3-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 114185816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).