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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Related Compounds

2-[4-[[[1-(cyclopentylmethyl)piperidin-4-yl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 110909251
2-[4-[[[1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 111469527
2-[3,5-dimethyl-4-[[(1-phenylpiperidin-3-yl)amino]methyl]pyrazol-1-yl]ethanol
CID 111382447
2-[4-[(2-adamantylamino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 75417243
2-[[3-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122041980
2-[3,5-dimethyl-4-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]methyl]pyrazol-1-yl]ethanol
CID 110913013
4-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-2-methylbutan-2-ol
CID 79355509
N-[(1-heptyl-3,5-dimethylpyrazol-4-yl)methyl]cyclopropanamine
CID 43648067
N-[(3,5-dimethyl-1-nonylpyrazol-4-yl)methyl]cyclopropanamine
CID 43648066
2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N,N-dimethylacetamide
CID 43648085
2-[3,5-dimethyl-4-[[[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]methyl]pyrazol-1-yl]ethanol
CID 95733883
2-[4-[(4-cyclopentyloxyanilino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 110905762

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).