(1R,4R,5R)-1-(2-methylpyrazol-3-yl)bicyclo[2.1.1]hexane-5-carboxylic acid

C11H14N2O2 — CID 162368011

IUPAC(1R,4R,5R)-1-(2-methylpyrazol-3-yl)bicyclo[2.1.1]hexane-5-carboxylic acid
SMILESCn1nccc1[C@]12CC[C@H](C1)[C@H]2C(=O)O
InChIInChI=1S/C11H14N2O2/c1-13-8(3-5-12-13)11-4-2-7(6-11)9(11)10(14)15/h3,5,7,9H,2,4,6H2,1H3,(H,14,15)/t7-,9+,11+/m1/s1
InChIKeyYGJJPBILSYBOON-HDBBIHSSSA-N
MW206.24 g/mol
LogP1.17
Rot. Bonds2

About (1R,4R,5R)-1-(2-methylpyrazol-3-yl)bicyclo[2.1.1]hexane-5-carboxylic acid

(1R,4R,5R)-1-(2-methylpyrazol-3-yl)bicyclo[2.1.1]hexane-5-carboxylic acid (PubChem CID 162368011) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is (1R,4R,5R)-1-(2-methylpyrazol-3-yl)bicyclo[2.1.1]hexane-5-carboxylic acid.

Molecular Properties

Compound Name(1R,4R,5R)-1-(2-methylpyrazol-3-yl)bicyclo[2.1.1]hexane-5-carboxylic acid
PubChem CID162368011
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name(1R,4R,5R)-1-(2-methylpyrazol-3-yl)bicyclo[2.1.1]hexane-5-carboxylic acid
SMILESCn1nccc1[C@]12CC[C@H](C1)[C@H]2C(=O)O
InChIInChI=1S/C11H14N2O2/c1-13-8(3-5-12-13)11-4-2-7(6-11)9(11)10(14)15/h3,5,7,9H,2,4,6H2,1H3,(H,14,15)/t7-,9+,11+/m1/s1
InChIKeyYGJJPBILSYBOON-HDBBIHSSSA-N
XLogP1.17
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,4R,5R)-1-(2-methylpyrazol-3-yl)bicyclo[2.1.1]hexane-5-carboxylic acid with MolForge

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Related Compounds

3-[1-[(1S,4S,5S)-1-(2-methylpyrazol-3-yl)bicyclo[2.1.1]hexane-5-carbonyl]piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 166268586
[4-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl]carbamic acid
CID 90134467
4-[1-(2-methylpyrazol-3-yl)cyclopropyl]piperidine
CID 83908828
2-methyl-1-(2-methylpyrazol-3-yl)cyclopropan-1-ol
CID 79333490
3-fluoro-3-(2-methylpyrazol-3-yl)cyclohexan-1-amine
CID 112567552
1-(2-methylpyrazol-3-yl)cycloheptan-1-ol
CID 63961552
2,3-dimethyl-1-(2-methylpyrazol-3-yl)cyclobutan-1-ol
CID 130725388
1-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 64756732
3-(2-methylpyrazol-3-yl)thiolan-3-ol
CID 79950623
2-methyl-2-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120545480
1-(2-methylpyrazol-3-yl)cyclobutan-1-amine
CID 82594917
1-(2-cyclobutylpyrazol-3-yl)-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-yl)bicyclo[2.1.1]hexane-5-carboxamide
CID 166359192

Frequently Asked Questions

What is the IUPAC name of (1R,4R,5R)-1-(2-methylpyrazol-3-yl)bicyclo[2.1.1]hexane-5-carboxylic acid?
The IUPAC name of (1R,4R,5R)-1-(2-methylpyrazol-3-yl)bicyclo[2.1.1]hexane-5-carboxylic acid (CID 162368011) is (1R,4R,5R)-1-(2-methylpyrazol-3-yl)bicyclo[2.1.1]hexane-5-carboxylic acid.
What is the SMILES notation for (1R,4R,5R)-1-(2-methylpyrazol-3-yl)bicyclo[2.1.1]hexane-5-carboxylic acid?
The canonical SMILES for (1R,4R,5R)-1-(2-methylpyrazol-3-yl)bicyclo[2.1.1]hexane-5-carboxylic acid is Cn1nccc1[C@]12CC[C@H](C1)[C@H]2C(=O)O.
What is the InChIKey of (1R,4R,5R)-1-(2-methylpyrazol-3-yl)bicyclo[2.1.1]hexane-5-carboxylic acid?
The InChIKey is YGJJPBILSYBOON-HDBBIHSSSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-13-8(3-5-12-13)11-4-2-7(6-11)9(11)10(14)15/h3,5,7,9H,2,4,6H2,1H3,(H,14,15)/t7-,9+,11+/m1/s1.
What are the key properties of (1R,4R,5R)-1-(2-methylpyrazol-3-yl)bicyclo[2.1.1]hexane-5-carboxylic acid?
(1R,4R,5R)-1-(2-methylpyrazol-3-yl)bicyclo[2.1.1]hexane-5-carboxylic acid has a molecular weight of 206.24 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,5R)-1-(2-methylpyrazol-3-yl)bicyclo[2.1.1]hexane-5-carboxylic acid is sourced from PubChem (CID 162368011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).