ethyl 1-[3-cyano-1-(2-methylpropyl)indazol-5-yl]pyrazole-4-carboxylate

C18H19N5O2 — CID 166063219

IUPACethyl 1-[3-cyano-1-(2-methylpropyl)indazol-5-yl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc3c(c2)c(C#N)nn3CC(C)C)c1
InChIInChI=1S/C18H19N5O2/c1-4-25-18(24)13-9-20-22(11-13)14-5-6-17-15(7-14)16(8-19)21-23(17)10-12(2)3/h5-7,9,11-12H,4,10H2,1-3H3
InChIKeyUMGBREGEWTUIGL-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.93
Rot. Bonds5

About ethyl 1-[3-cyano-1-(2-methylpropyl)indazol-5-yl]pyrazole-4-carboxylate

ethyl 1-[3-cyano-1-(2-methylpropyl)indazol-5-yl]pyrazole-4-carboxylate (PubChem CID 166063219) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is ethyl 1-[3-cyano-1-(2-methylpropyl)indazol-5-yl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-cyano-1-(2-methylpropyl)indazol-5-yl]pyrazole-4-carboxylate
PubChem CID166063219
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Nameethyl 1-[3-cyano-1-(2-methylpropyl)indazol-5-yl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc3c(c2)c(C#N)nn3CC(C)C)c1
InChIInChI=1S/C18H19N5O2/c1-4-25-18(24)13-9-20-22(11-13)14-5-6-17-15(7-14)16(8-19)21-23(17)10-12(2)3/h5-7,9,11-12H,4,10H2,1-3H3
InChIKeyUMGBREGEWTUIGL-UHFFFAOYSA-N
XLogP2.93
TPSA85.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-cyano-1-(2-methylpropyl)indazol-5-yl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-[3-cyano-1-(2-methylpropyl)indazol-5-yl]pyrazole-4-carboxylate (CID 166063219) is ethyl 1-[3-cyano-1-(2-methylpropyl)indazol-5-yl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-cyano-1-(2-methylpropyl)indazol-5-yl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[3-cyano-1-(2-methylpropyl)indazol-5-yl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccc3c(c2)c(C#N)nn3CC(C)C)c1.
What is the InChIKey of ethyl 1-[3-cyano-1-(2-methylpropyl)indazol-5-yl]pyrazole-4-carboxylate?
The InChIKey is UMGBREGEWTUIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-4-25-18(24)13-9-20-22(11-13)14-5-6-17-15(7-14)16(8-19)21-23(17)10-12(2)3/h5-7,9,11-12H,4,10H2,1-3H3.
What are the key properties of ethyl 1-[3-cyano-1-(2-methylpropyl)indazol-5-yl]pyrazole-4-carboxylate?
ethyl 1-[3-cyano-1-(2-methylpropyl)indazol-5-yl]pyrazole-4-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-cyano-1-(2-methylpropyl)indazol-5-yl]pyrazole-4-carboxylate is sourced from PubChem (CID 166063219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).