[1-[[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]methyl]cyclohexyl]methanol

C16H28ClN3O — CID 103966491

IUPAC[1-[[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]methyl]cyclohexyl]methanol
SMILESCCc1nn(CC)c(CNCC2(CO)CCCCC2)c1Cl
InChIInChI=1S/C16H28ClN3O/c1-3-13-15(17)14(20(4-2)19-13)10-18-11-16(12-21)8-6-5-7-9-16/h18,21H,3-12H2,1-2H3
InChIKeyMQFASAPSCSMGAR-UHFFFAOYSA-N
MW313.87 g/mol
LogP3.15
Rot. Bonds7

About [1-[[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]methyl]cyclohexyl]methanol

[1-[[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]methyl]cyclohexyl]methanol (PubChem CID 103966491) has the molecular formula C16H28ClN3O and a molecular weight of 313.87 g/mol. Its IUPAC name is [1-[[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]methyl]cyclohexyl]methanol
PubChem CID103966491
Molecular FormulaC16H28ClN3O
Molecular Weight313.87 g/mol
Exact Mass313.19
IUPAC Name[1-[[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]methyl]cyclohexyl]methanol
SMILESCCc1nn(CC)c(CNCC2(CO)CCCCC2)c1Cl
InChIInChI=1S/C16H28ClN3O/c1-3-13-15(17)14(20(4-2)19-13)10-18-11-16(12-21)8-6-5-7-9-16/h18,21H,3-12H2,1-2H3
InChIKeyMQFASAPSCSMGAR-UHFFFAOYSA-N
XLogP3.15
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.87
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-[[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]methyl]cyclohexyl]methanol with MolForge

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Related Compounds

1-(4-chloro-1,3-diethylpyrazol-5-yl)-N-[[1-(chloromethyl)cyclopropyl]methyl]methanamine
CID 115455672
[3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-yl]methanol
CID 66060514
[4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]piperidin-4-yl]methanol
CID 66024539
3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 113293882
[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methanol
CID 66024347
[1-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]cyclopentyl]methanol
CID 112669129
N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79870634
4-chloro-5-[[1-(chloromethyl)cyclopropyl]methyl]-1,3-diethylpyrazole
CID 66036687
1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]cyclooctane-1-carbonitrile
CID 80610063
[1-[[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclopropyl]methanol
CID 113313219
[1-[[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]cyclopropyl]methanol
CID 111579370
[1-[[(3-ethylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol
CID 103965802

Frequently Asked Questions

What is the IUPAC name of [1-[[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]methyl]cyclohexyl]methanol (CID 103966491) is [1-[[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]methyl]cyclohexyl]methanol is CCc1nn(CC)c(CNCC2(CO)CCCCC2)c1Cl.
What is the InChIKey of [1-[[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]methyl]cyclohexyl]methanol?
The InChIKey is MQFASAPSCSMGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28ClN3O/c1-3-13-15(17)14(20(4-2)19-13)10-18-11-16(12-21)8-6-5-7-9-16/h18,21H,3-12H2,1-2H3.
What are the key properties of [1-[[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]methyl]cyclohexyl]methanol?
[1-[[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]methyl]cyclohexyl]methanol has a molecular weight of 313.87 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 103966491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).