[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol

C15H23ClN2O — CID 66024947

IUPAC[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol
SMILESCCc1nn(C)c(CC2(CO)CC3CCC2C3)c1Cl
InChIInChI=1S/C15H23ClN2O/c1-3-12-14(16)13(18(2)17-12)8-15(9-19)7-10-4-5-11(15)6-10/h10-11,19H,3-9H2,1-2H3
InChIKeyBERFVZFUIWUFSX-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.98
Rot. Bonds4

About [2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol

[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol (PubChem CID 66024947) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is [2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol.

Molecular Properties

Compound Name[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol
PubChem CID66024947
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol
SMILESCCc1nn(C)c(CC2(CO)CC3CCC2C3)c1Cl
InChIInChI=1S/C15H23ClN2O/c1-3-12-14(16)13(18(2)17-12)8-15(9-19)7-10-4-5-11(15)6-10/h10-11,19H,3-9H2,1-2H3
InChIKeyBERFVZFUIWUFSX-UHFFFAOYSA-N
XLogP2.98
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol with MolForge

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Related Compounds

(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol
CID 57359274
4-chloro-5-[(2-cyclopropylpyrrolidin-2-yl)methyl]-3-ethyl-1-methylpyrazole
CID 66466493
[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-4-yl]methanol
CID 66026319
5-[(3-bromo-1-methylcyclopentyl)methyl]-4-chloro-3-ethyl-1-methylpyrazole
CID 116540540
[3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-yl]methanol
CID 66058600
3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]thiolan-3-ol
CID 79949556
N-[[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopropyl]methyl]cyclopropanamine
CID 66023800
[2-[2-(2-methylpyrazol-3-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanol
CID 103017855
1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidine-3,4-diol
CID 106672188
1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylpiperidin-4-ol
CID 81115995
4-bromo-1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidine
CID 80680393
(3S)-1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-3-ol
CID 107225981

Frequently Asked Questions

What is the IUPAC name of [2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol?
The IUPAC name of [2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol (CID 66024947) is [2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol.
What is the SMILES notation for [2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol?
The canonical SMILES for [2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol is CCc1nn(C)c(CC2(CO)CC3CCC2C3)c1Cl.
What is the InChIKey of [2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol?
The InChIKey is BERFVZFUIWUFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-3-12-14(16)13(18(2)17-12)8-15(9-19)7-10-4-5-11(15)6-10/h10-11,19H,3-9H2,1-2H3.
What are the key properties of [2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol?
[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol has a molecular weight of 282.81 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol is sourced from PubChem (CID 66024947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).