2-[(4-amino-1,3-dimethylpyrazol-5-yl)-cyclohexylamino]ethanol

C13H24N4O — CID 54993676

IUPAC2-[(4-amino-1,3-dimethylpyrazol-5-yl)-cyclohexylamino]ethanol
SMILESCc1nn(C)c(N(CCO)C2CCCCC2)c1N
InChIInChI=1S/C13H24N4O/c1-10-12(14)13(16(2)15-10)17(8-9-18)11-6-4-3-5-7-11/h11,18H,3-9,14H2,1-2H3
InChIKeyHLERZHGITDDUOL-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.44
Rot. Bonds4

About 2-[(4-amino-1,3-dimethylpyrazol-5-yl)-cyclohexylamino]ethanol

2-[(4-amino-1,3-dimethylpyrazol-5-yl)-cyclohexylamino]ethanol (PubChem CID 54993676) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[(4-amino-1,3-dimethylpyrazol-5-yl)-cyclohexylamino]ethanol.

Molecular Properties

Compound Name2-[(4-amino-1,3-dimethylpyrazol-5-yl)-cyclohexylamino]ethanol
PubChem CID54993676
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-[(4-amino-1,3-dimethylpyrazol-5-yl)-cyclohexylamino]ethanol
SMILESCc1nn(C)c(N(CCO)C2CCCCC2)c1N
InChIInChI=1S/C13H24N4O/c1-10-12(14)13(16(2)15-10)17(8-9-18)11-6-4-3-5-7-11/h11,18H,3-9,14H2,1-2H3
InChIKeyHLERZHGITDDUOL-UHFFFAOYSA-N
XLogP1.44
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-cyclopentylamino]ethanol
CID 66011474
2-[cyclobutyl-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]ethanol
CID 102864919
5-[cyclopropyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carbothioamide
CID 63757564
2-[(4-amino-1,3-dimethylpyrazol-5-yl)-methylamino]ethanol
CID 43554229
5-N-cyclohexyl-5-N-ethyl-3-methyl-1-propylpyrazole-4,5-diamine
CID 66013691
5-N-(cyclohexylmethyl)-5-N,1,3-trimethylpyrazole-4,5-diamine
CID 61444659
4-amino-N-cyclohexyl-N-ethyl-1,3-dimethylpyrazole-5-carboxamide
CID 66119870
2-[cyclopropyl-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]amino]ethanol
CID 54994821
3-[cyclobutyl-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]amino]propan-1-ol
CID 102864776
2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-cyclopentylamino]acetamide
CID 66027381
2-[(3-amino-4-methyl-1,2-thiazol-5-yl)-cyclohexylamino]ethanol
CID 103361420
4-amino-N-(cyclohexylmethyl)-N-cyclopropyl-1,3-dimethylpyrazole-5-carboxamide
CID 66125149

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,3-dimethylpyrazol-5-yl)-cyclohexylamino]ethanol?
The IUPAC name of 2-[(4-amino-1,3-dimethylpyrazol-5-yl)-cyclohexylamino]ethanol (CID 54993676) is 2-[(4-amino-1,3-dimethylpyrazol-5-yl)-cyclohexylamino]ethanol.
What is the SMILES notation for 2-[(4-amino-1,3-dimethylpyrazol-5-yl)-cyclohexylamino]ethanol?
The canonical SMILES for 2-[(4-amino-1,3-dimethylpyrazol-5-yl)-cyclohexylamino]ethanol is Cc1nn(C)c(N(CCO)C2CCCCC2)c1N.
What is the InChIKey of 2-[(4-amino-1,3-dimethylpyrazol-5-yl)-cyclohexylamino]ethanol?
The InChIKey is HLERZHGITDDUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10-12(14)13(16(2)15-10)17(8-9-18)11-6-4-3-5-7-11/h11,18H,3-9,14H2,1-2H3.
What are the key properties of 2-[(4-amino-1,3-dimethylpyrazol-5-yl)-cyclohexylamino]ethanol?
2-[(4-amino-1,3-dimethylpyrazol-5-yl)-cyclohexylamino]ethanol has a molecular weight of 252.36 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1,3-dimethylpyrazol-5-yl)-cyclohexylamino]ethanol is sourced from PubChem (CID 54993676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).