3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-2,3-dimethylbutan-2-ol

C12H24N4O — CID 106183736

IUPAC3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-2,3-dimethylbutan-2-ol
SMILESCCn1nc(C)c(N)c1NC(C)(C)C(C)(C)O
InChIInChI=1S/C12H24N4O/c1-7-16-10(9(13)8(2)15-16)14-11(3,4)12(5,6)17/h14,17H,7,13H2,1-6H3
InChIKeyYSXOFMBJNXKELQ-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.76
Rot. Bonds4

About 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-2,3-dimethylbutan-2-ol

3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-2,3-dimethylbutan-2-ol (PubChem CID 106183736) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-2,3-dimethylbutan-2-ol
PubChem CID106183736
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-2,3-dimethylbutan-2-ol
SMILESCCn1nc(C)c(N)c1NC(C)(C)C(C)(C)O
InChIInChI=1S/C12H24N4O/c1-7-16-10(9(13)8(2)15-16)14-11(3,4)12(5,6)17/h14,17H,7,13H2,1-6H3
InChIKeyYSXOFMBJNXKELQ-UHFFFAOYSA-N
XLogP1.76
TPSA76.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]methyl]pentan-3-ol
CID 66012284
1-ethyl-3-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 66012005
3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 114092970
5-N-(2,2-difluoroethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 115405464
2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]-2-methylpropan-1-ol
CID 66029551
3-methyl-5-N-(2-methylbutan-2-yl)-1-propylpyrazole-4,5-diamine
CID 66027987
1-ethyl-3-methyl-5-N-(3-methylbutyl)pyrazole-4,5-diamine
CID 66011030
1-ethyl-3-methyl-5-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazole-4,5-diamine
CID 106426553
5-N-(2-cyclopentylethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66011257
5-N-(2-ethoxyethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66012621
1-ethyl-3-methyl-5-N-(4-methylpentyl)pyrazole-4,5-diamine
CID 66012859
1-ethyl-3-methyl-5-N-(5-methylhexyl)pyrazole-4,5-diamine
CID 113287312

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-2,3-dimethylbutan-2-ol (CID 106183736) is 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-2,3-dimethylbutan-2-ol is CCn1nc(C)c(N)c1NC(C)(C)C(C)(C)O.
What is the InChIKey of 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-2,3-dimethylbutan-2-ol?
The InChIKey is YSXOFMBJNXKELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-7-16-10(9(13)8(2)15-16)14-11(3,4)12(5,6)17/h14,17H,7,13H2,1-6H3.
What are the key properties of 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-2,3-dimethylbutan-2-ol?
3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-2,3-dimethylbutan-2-ol has a molecular weight of 240.35 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 106183736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).