methyl 4-pyrazolo[1,5-a]pyridin-4-ylcyclohex-3-ene-1-carboxylate

C15H16N2O2 — CID 135240722

IUPACmethyl 4-pyrazolo[1,5-a]pyridin-4-ylcyclohex-3-ene-1-carboxylate
SMILESCOC(=O)C1CC=C(c2cccn3nccc23)CC1
InChIInChI=1S/C15H16N2O2/c1-19-15(18)12-6-4-11(5-7-12)13-3-2-10-17-14(13)8-9-16-17/h2-4,8-10,12H,5-7H2,1H3
InChIKeyINEJKIXRKBFMOL-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.69
Rot. Bonds2

About methyl 4-pyrazolo[1,5-a]pyridin-4-ylcyclohex-3-ene-1-carboxylate

methyl 4-pyrazolo[1,5-a]pyridin-4-ylcyclohex-3-ene-1-carboxylate (PubChem CID 135240722) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is methyl 4-pyrazolo[1,5-a]pyridin-4-ylcyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-pyrazolo[1,5-a]pyridin-4-ylcyclohex-3-ene-1-carboxylate
PubChem CID135240722
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Namemethyl 4-pyrazolo[1,5-a]pyridin-4-ylcyclohex-3-ene-1-carboxylate
SMILESCOC(=O)C1CC=C(c2cccn3nccc23)CC1
InChIInChI=1S/C15H16N2O2/c1-19-15(18)12-6-4-11(5-7-12)13-3-2-10-17-14(13)8-9-16-17/h2-4,8-10,12H,5-7H2,1H3
InChIKeyINEJKIXRKBFMOL-UHFFFAOYSA-N
XLogP2.69
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(6-chloro-3-pyridinyl)cyclohex-3-ene-1-carboxylate
CID 142612409
ethyl (1S)-4-(2-amino-3-pyridinyl)cyclohex-3-ene-1-carboxylate
CID 67443876
methyl (1R)-4-(trimethylsilylmethyl)cyclohex-3-ene-1-carboxylate
CID 102330651
methyl 4-[4-(4-methoxyphenyl)cyclohexen-1-yl]cyclohex-3-ene-1-carboxylate
CID 19986864
methyl 4-fluorocyclohex-3-ene-1-carboxylate
CID 14365666
methyl 4-[6-[1-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]cyclohex-3-ene-1-carboxylate
CID 176914511
methyl 4-[4-[chloro(cyclopropyl)methyl]-2H-benzotriazol-5-yl]cyclohex-3-ene-1-carboxylate
CID 123691121
methyl 1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidine-2-carboxylate
CID 113446554
methyl 4-pyridin-1-ium-1-ylcyclohex-3-ene-1-carboxylate bromide
CID 10108684
ethyl (1S)-4-(3-amino-2-pyridinyl)cyclohex-3-ene-1-carboxylate
CID 67445034
1-pyrazolo[1,5-a]pyridin-4-ylpropan-2-one
CID 83827376
lithium;methane;4-methylcyclohex-3-ene-1-carboxylic acid;methyl 4-methylcyclohex-3-ene-1-carboxylate;hydroxide
CID 167654030

Frequently Asked Questions

What is the IUPAC name of methyl 4-pyrazolo[1,5-a]pyridin-4-ylcyclohex-3-ene-1-carboxylate?
The IUPAC name of methyl 4-pyrazolo[1,5-a]pyridin-4-ylcyclohex-3-ene-1-carboxylate (CID 135240722) is methyl 4-pyrazolo[1,5-a]pyridin-4-ylcyclohex-3-ene-1-carboxylate.
What is the SMILES notation for methyl 4-pyrazolo[1,5-a]pyridin-4-ylcyclohex-3-ene-1-carboxylate?
The canonical SMILES for methyl 4-pyrazolo[1,5-a]pyridin-4-ylcyclohex-3-ene-1-carboxylate is COC(=O)C1CC=C(c2cccn3nccc23)CC1.
What is the InChIKey of methyl 4-pyrazolo[1,5-a]pyridin-4-ylcyclohex-3-ene-1-carboxylate?
The InChIKey is INEJKIXRKBFMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-19-15(18)12-6-4-11(5-7-12)13-3-2-10-17-14(13)8-9-16-17/h2-4,8-10,12H,5-7H2,1H3.
What are the key properties of methyl 4-pyrazolo[1,5-a]pyridin-4-ylcyclohex-3-ene-1-carboxylate?
methyl 4-pyrazolo[1,5-a]pyridin-4-ylcyclohex-3-ene-1-carboxylate has a molecular weight of 256.31 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-pyrazolo[1,5-a]pyridin-4-ylcyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 135240722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).