ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-cyclopropyl-3-pyridinyl]methyl]pyrazole-4-carboxylate

C20H24N4O2 — CID 156826518

IUPACethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-cyclopropyl-3-pyridinyl]methyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(Cc2ccc(N3CC4CC4C3)nc2C2CC2)c1
InChIInChI=1S/C20H24N4O2/c1-2-26-20(25)17-8-21-24(12-17)11-14-5-6-18(22-19(14)13-3-4-13)23-9-15-7-16(15)10-23/h5-6,8,12-13,15-16H,2-4,7,9-11H2,1H3
InChIKeyBQSFXYNFHPCPEK-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.84
Rot. Bonds6

About ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-cyclopropyl-3-pyridinyl]methyl]pyrazole-4-carboxylate

ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-cyclopropyl-3-pyridinyl]methyl]pyrazole-4-carboxylate (PubChem CID 156826518) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-cyclopropyl-3-pyridinyl]methyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-cyclopropyl-3-pyridinyl]methyl]pyrazole-4-carboxylate
PubChem CID156826518
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Nameethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-cyclopropyl-3-pyridinyl]methyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(Cc2ccc(N3CC4CC4C3)nc2C2CC2)c1
InChIInChI=1S/C20H24N4O2/c1-2-26-20(25)17-8-21-24(12-17)11-14-5-6-18(22-19(14)13-3-4-13)23-9-15-7-16(15)10-23/h5-6,8,12-13,15-16H,2-4,7,9-11H2,1H3
InChIKeyBQSFXYNFHPCPEK-UHFFFAOYSA-N
XLogP2.84
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-cyclopropyl-3-pyridinyl]methyl]pyrazole-4-carboxylate with MolForge

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Related Compounds

ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-formyl-3-pyridinyl]methyl]pyrazole-4-carboxylate
CID 156825859
ethyl 1-[[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]methyl]pyrazole-4-carboxylate
CID 129078754
methyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloro-3-pyridinyl]methyl]pyrazole-4-carboxylate
CID 165179349
ethyl 1-[[5-(3-azabicyclo[3.1.0]hexan-3-yl)-6-cyano-2-pyridinyl]methyl]pyrazole-4-carboxylate
CID 156826563
ethyl 1-[[4-[(4-oxo-3-azabicyclo[4.1.0]heptan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxylate
CID 129097112
ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate
CID 139487437
ethane;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate
CID 156707965
1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-[(1S)-1-hydroxyethyl]-3-pyridinyl]methyl]pyrazole-4-carboxylic acid
CID 156826513
ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-bromopyrazole-4-carboxylate
CID 146371954
ethyl 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-formyl-3-pyridinyl]methyl]pyrazole-4-carboxylate;ethyl 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-(hydroxymethyl)-3-pyridinyl]methyl]pyrazole-4-carboxylate
CID 159229844
1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(2-hydroxyethyl)-3-pyridinyl]methyl]pyrazole-4-carboxylic acid
CID 156826350
1-[[6-(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide
CID 146371949

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-cyclopropyl-3-pyridinyl]methyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-cyclopropyl-3-pyridinyl]methyl]pyrazole-4-carboxylate (CID 156826518) is ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-cyclopropyl-3-pyridinyl]methyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-cyclopropyl-3-pyridinyl]methyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-cyclopropyl-3-pyridinyl]methyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(Cc2ccc(N3CC4CC4C3)nc2C2CC2)c1.
What is the InChIKey of ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-cyclopropyl-3-pyridinyl]methyl]pyrazole-4-carboxylate?
The InChIKey is BQSFXYNFHPCPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-2-26-20(25)17-8-21-24(12-17)11-14-5-6-18(22-19(14)13-3-4-13)23-9-15-7-16(15)10-23/h5-6,8,12-13,15-16H,2-4,7,9-11H2,1H3.
What are the key properties of ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-cyclopropyl-3-pyridinyl]methyl]pyrazole-4-carboxylate?
ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-cyclopropyl-3-pyridinyl]methyl]pyrazole-4-carboxylate has a molecular weight of 352.44 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-cyclopropyl-3-pyridinyl]methyl]pyrazole-4-carboxylate is sourced from PubChem (CID 156826518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).