[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methanol

C14H23ClN2O — CID 66024347

IUPAC[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methanol
SMILESCCn1nc(C)c(Cl)c1CC1(CO)CCCCC1
InChIInChI=1S/C14H23ClN2O/c1-3-17-12(13(15)11(2)16-17)9-14(10-18)7-5-4-6-8-14/h18H,3-10H2,1-2H3
InChIKeyCAYJVHVAPSFEQD-UHFFFAOYSA-N
MW270.80 g/mol
LogP3.35
Rot. Bonds4

About [1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methanol

[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methanol (PubChem CID 66024347) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is [1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methanol
PubChem CID66024347
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methanol
SMILESCCn1nc(C)c(Cl)c1CC1(CO)CCCCC1
InChIInChI=1S/C14H23ClN2O/c1-3-17-12(13(15)11(2)16-17)9-14(10-18)7-5-4-6-8-14/h18H,3-10H2,1-2H3
InChIKeyCAYJVHVAPSFEQD-UHFFFAOYSA-N
XLogP3.35
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methanol with MolForge

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Related Compounds

1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclobutan-1-ol
CID 79081888
5-[[4-(bromomethyl)oxan-4-yl]methyl]-4-chloro-1-ethyl-3-methylpyrazole
CID 66051062
4-chloro-1-ethyl-5-[(3-ethylazetidin-3-yl)methyl]-3-methylpyrazole
CID 79452376
1-[1-(aminomethyl)cyclohexyl]-3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propan-2-one
CID 116614321
[4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]piperidin-4-yl]methanol
CID 66024539
1-[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopropyl]ethanamine
CID 106797396
[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]piperidin-4-yl]methanol
CID 66025196
1-[1-(aminomethyl)cycloheptyl]-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanone
CID 116602069
[3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-yl]methanol
CID 66060514
[1-[[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]methyl]cyclohexyl]methanol
CID 103966491
4-chloro-5-[[1-(chloromethyl)cyclopentyl]methyl]-1,3-dimethylpyrazole
CID 66033786
1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-methoxycyclobutan-1-ol
CID 106823582

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methanol (CID 66024347) is [1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methanol is CCn1nc(C)c(Cl)c1CC1(CO)CCCCC1.
What is the InChIKey of [1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methanol?
The InChIKey is CAYJVHVAPSFEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O/c1-3-17-12(13(15)11(2)16-17)9-14(10-18)7-5-4-6-8-14/h18H,3-10H2,1-2H3.
What are the key properties of [1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methanol?
[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methanol has a molecular weight of 270.80 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methanol is sourced from PubChem (CID 66024347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).