2-[4-[[[3-(dimethylamino)cyclohexyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol

C16H30N4O — CID 111778125

IUPAC2-[4-[[[3-(dimethylamino)cyclohexyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNC1CCCC(N(C)C)C1
InChIInChI=1S/C16H30N4O/c1-12-16(13(2)20(18-12)8-9-21)11-17-14-6-5-7-15(10-14)19(3)4/h14-15,17,21H,5-11H2,1-4H3
InChIKeyMRNDSJNGLWOTLW-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.45
Rot. Bonds6

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

2-[4-[[[3-(dimethylamino)cyclohexyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol (PubChem CID 111778125) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-[4-[[[3-(dimethylamino)cyclohexyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[[3-(dimethylamino)cyclohexyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
PubChem CID111778125
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name2-[4-[[[3-(dimethylamino)cyclohexyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNC1CCCC(N(C)C)C1
InChIInChI=1S/C16H30N4O/c1-12-16(13(2)20(18-12)8-9-21)11-17-14-6-5-7-15(10-14)19(3)4/h14-15,17,21H,5-11H2,1-4H3
InChIKeyMRNDSJNGLWOTLW-UHFFFAOYSA-N
XLogP1.45
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[3-(dimethylamino)cyclohexyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[[3-(dimethylamino)cyclohexyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol (CID 111778125) is 2-[4-[[[3-(dimethylamino)cyclohexyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[[3-(dimethylamino)cyclohexyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[[3-(dimethylamino)cyclohexyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol is Cc1nn(CCO)c(C)c1CNC1CCCC(N(C)C)C1.
What is the InChIKey of 2-[4-[[[3-(dimethylamino)cyclohexyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The InChIKey is MRNDSJNGLWOTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-12-16(13(2)20(18-12)8-9-21)11-17-14-6-5-7-15(10-14)19(3)4/h14-15,17,21H,5-11H2,1-4H3.
What are the key properties of 2-[4-[[[3-(dimethylamino)cyclohexyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
2-[4-[[[3-(dimethylamino)cyclohexyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol has a molecular weight of 294.44 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[3-(dimethylamino)cyclohexyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol is sourced from PubChem (CID 111778125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).