methyl 1-propan-2-yl-3-(pyrazol-1-ylmethyl)indazole-6-carboxylate

C16H18N4O2 — CID 90133396

IUPACmethyl 1-propan-2-yl-3-(pyrazol-1-ylmethyl)indazole-6-carboxylate
SMILESCOC(=O)c1ccc2c(Cn3cccn3)nn(C(C)C)c2c1
InChIInChI=1S/C16H18N4O2/c1-11(2)20-15-9-12(16(21)22-3)5-6-13(15)14(18-20)10-19-8-4-7-17-19/h4-9,11H,10H2,1-3H3
InChIKeyYUKFEVDVULPZSM-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.65
Rot. Bonds4

About methyl 1-propan-2-yl-3-(pyrazol-1-ylmethyl)indazole-6-carboxylate

methyl 1-propan-2-yl-3-(pyrazol-1-ylmethyl)indazole-6-carboxylate (PubChem CID 90133396) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is methyl 1-propan-2-yl-3-(pyrazol-1-ylmethyl)indazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 1-propan-2-yl-3-(pyrazol-1-ylmethyl)indazole-6-carboxylate
PubChem CID90133396
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Namemethyl 1-propan-2-yl-3-(pyrazol-1-ylmethyl)indazole-6-carboxylate
SMILESCOC(=O)c1ccc2c(Cn3cccn3)nn(C(C)C)c2c1
InChIInChI=1S/C16H18N4O2/c1-11(2)20-15-9-12(16(21)22-3)5-6-13(15)14(18-20)10-19-8-4-7-17-19/h4-9,11H,10H2,1-3H3
InChIKeyYUKFEVDVULPZSM-UHFFFAOYSA-N
XLogP2.65
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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methyl 1-ethylindole-6-carboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl 1-propan-2-yl-3-(pyrazol-1-ylmethyl)indazole-6-carboxylate?
The IUPAC name of methyl 1-propan-2-yl-3-(pyrazol-1-ylmethyl)indazole-6-carboxylate (CID 90133396) is methyl 1-propan-2-yl-3-(pyrazol-1-ylmethyl)indazole-6-carboxylate.
What is the SMILES notation for methyl 1-propan-2-yl-3-(pyrazol-1-ylmethyl)indazole-6-carboxylate?
The canonical SMILES for methyl 1-propan-2-yl-3-(pyrazol-1-ylmethyl)indazole-6-carboxylate is COC(=O)c1ccc2c(Cn3cccn3)nn(C(C)C)c2c1.
What is the InChIKey of methyl 1-propan-2-yl-3-(pyrazol-1-ylmethyl)indazole-6-carboxylate?
The InChIKey is YUKFEVDVULPZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-11(2)20-15-9-12(16(21)22-3)5-6-13(15)14(18-20)10-19-8-4-7-17-19/h4-9,11H,10H2,1-3H3.
What are the key properties of methyl 1-propan-2-yl-3-(pyrazol-1-ylmethyl)indazole-6-carboxylate?
methyl 1-propan-2-yl-3-(pyrazol-1-ylmethyl)indazole-6-carboxylate has a molecular weight of 298.35 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-propan-2-yl-3-(pyrazol-1-ylmethyl)indazole-6-carboxylate is sourced from PubChem (CID 90133396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).