5-N-tert-butyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine

C11H22N4 — CID 66028498

IUPAC5-N-tert-butyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCc1nn(C(C)C)c(NC(C)(C)C)c1N
InChIInChI=1S/C11H22N4/c1-7(2)15-10(13-11(4,5)6)9(12)8(3)14-15/h7,13H,12H2,1-6H3
InChIKeyCXYFWCIGTPVMCM-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.57
Rot. Bonds2

About 5-N-tert-butyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine

5-N-tert-butyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine (PubChem CID 66028498) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 5-N-tert-butyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-tert-butyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
PubChem CID66028498
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name5-N-tert-butyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCc1nn(C(C)C)c(NC(C)(C)C)c1N
InChIInChI=1S/C11H22N4/c1-7(2)15-10(13-11(4,5)6)9(12)8(3)14-15/h7,13H,12H2,1-6H3
InChIKeyCXYFWCIGTPVMCM-UHFFFAOYSA-N
XLogP2.57
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]ethanol
CID 70039786
1-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]propan-2-ol
CID 66029672
3-methyl-5-N-(2-methylprop-2-enyl)-1-propan-2-ylpyrazole-4,5-diamine
CID 114615272
5-N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66029264
3-methyl-5-N-(2-methyl-3-methylsulfanylpropyl)-1-propan-2-ylpyrazole-4,5-diamine
CID 66023712
2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]propan-1-ol
CID 66029865
5-N-(2-ethoxypropyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 113476976
5-N-(cyclopentylmethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66027739
5-N-(3,5-dimethylphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66026960
ethyl 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]acetate
CID 66028328
(2S)-2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-3-methylbutan-1-ol
CID 79248672
5-N-cyclooctyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66027336

Frequently Asked Questions

What is the IUPAC name of 5-N-tert-butyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 5-N-tert-butyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine (CID 66028498) is 5-N-tert-butyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-tert-butyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-tert-butyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine is Cc1nn(C(C)C)c(NC(C)(C)C)c1N.
What is the InChIKey of 5-N-tert-butyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is CXYFWCIGTPVMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-7(2)15-10(13-11(4,5)6)9(12)8(3)14-15/h7,13H,12H2,1-6H3.
What are the key properties of 5-N-tert-butyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
5-N-tert-butyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 210.32 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-tert-butyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 66028498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).