[2-[2-(2-methylpyrazol-3-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanol

C14H22N2O — CID 103017855

IUPAC[2-[2-(2-methylpyrazol-3-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanol
SMILESCn1nccc1CCC1(CO)CC2CCC1C2
InChIInChI=1S/C14H22N2O/c1-16-13(5-7-15-16)4-6-14(10-17)9-11-2-3-12(14)8-11/h5,7,11-12,17H,2-4,6,8-10H2,1H3
InChIKeyPOPQRKKWJBJNSE-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.15
Rot. Bonds4

About [2-[2-(2-methylpyrazol-3-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanol

[2-[2-(2-methylpyrazol-3-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanol (PubChem CID 103017855) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [2-[2-(2-methylpyrazol-3-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanol.

Molecular Properties

Compound Name[2-[2-(2-methylpyrazol-3-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanol
PubChem CID103017855
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[2-[2-(2-methylpyrazol-3-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanol
SMILESCn1nccc1CCC1(CO)CC2CCC1C2
InChIInChI=1S/C14H22N2O/c1-16-13(5-7-15-16)4-6-14(10-17)9-11-2-3-12(14)8-11/h5,7,11-12,17H,2-4,6,8-10H2,1H3
InChIKeyPOPQRKKWJBJNSE-UHFFFAOYSA-N
XLogP2.15
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 103014457
[2-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol
CID 66026284
3-hydroxy-3-[2-(2-methylpyrazol-3-yl)ethyl]cyclobutane-1-carboxylic acid
CID 103006588
3-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[3.1.0]hexane-3-carboxylic acid
CID 103005116
1,3,3-trimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-ol
CID 103006613
3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol
CID 103005702
2-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol
CID 103005724
3-ethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol
CID 103006277
5-[2-(2-cyclopropylpyrrolidin-2-yl)ethyl]-1-methylpyrazole
CID 103010977
2,2-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol
CID 103006430
N-[[3-[2-(2-methylpyrazol-3-yl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine
CID 103014764
4-[2-[2-(bromomethyl)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-methylpyrazole
CID 103018348

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-methylpyrazol-3-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanol?
The IUPAC name of [2-[2-(2-methylpyrazol-3-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanol (CID 103017855) is [2-[2-(2-methylpyrazol-3-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanol.
What is the SMILES notation for [2-[2-(2-methylpyrazol-3-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanol?
The canonical SMILES for [2-[2-(2-methylpyrazol-3-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanol is Cn1nccc1CCC1(CO)CC2CCC1C2.
What is the InChIKey of [2-[2-(2-methylpyrazol-3-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanol?
The InChIKey is POPQRKKWJBJNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-16-13(5-7-15-16)4-6-14(10-17)9-11-2-3-12(14)8-11/h5,7,11-12,17H,2-4,6,8-10H2,1H3.
What are the key properties of [2-[2-(2-methylpyrazol-3-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanol?
[2-[2-(2-methylpyrazol-3-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanol has a molecular weight of 234.34 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-methylpyrazol-3-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanol is sourced from PubChem (CID 103017855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).