1-[(2-methyl-4-propan-2-ylindazol-7-yl)oxymethyl]cyclopropane-1-carbonitrile

C16H19N3O — CID 171760353

IUPAC1-[(2-methyl-4-propan-2-ylindazol-7-yl)oxymethyl]cyclopropane-1-carbonitrile
SMILESCC(C)c1ccc(OCC2(C#N)CC2)c2nn(C)cc12
InChIInChI=1S/C16H19N3O/c1-11(2)12-4-5-14(15-13(12)8-19(3)18-15)20-10-16(9-17)6-7-16/h4-5,8,11H,6-7,10H2,1-3H3
InChIKeyKMYHKSUSXKDTRG-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.38
Rot. Bonds4

About 1-[(2-methyl-4-propan-2-ylindazol-7-yl)oxymethyl]cyclopropane-1-carbonitrile

1-[(2-methyl-4-propan-2-ylindazol-7-yl)oxymethyl]cyclopropane-1-carbonitrile (PubChem CID 171760353) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-[(2-methyl-4-propan-2-ylindazol-7-yl)oxymethyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[(2-methyl-4-propan-2-ylindazol-7-yl)oxymethyl]cyclopropane-1-carbonitrile
PubChem CID171760353
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-[(2-methyl-4-propan-2-ylindazol-7-yl)oxymethyl]cyclopropane-1-carbonitrile
SMILESCC(C)c1ccc(OCC2(C#N)CC2)c2nn(C)cc12
InChIInChI=1S/C16H19N3O/c1-11(2)12-4-5-14(15-13(12)8-19(3)18-15)20-10-16(9-17)6-7-16/h4-5,8,11H,6-7,10H2,1-3H3
InChIKeyKMYHKSUSXKDTRG-UHFFFAOYSA-N
XLogP3.38
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2-methyl-4-propan-2-ylindazol-7-yl)oxymethyl]cyclopropane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-4-propan-2-ylindazol-7-yl)oxymethyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[(2-methyl-4-propan-2-ylindazol-7-yl)oxymethyl]cyclopropane-1-carbonitrile (CID 171760353) is 1-[(2-methyl-4-propan-2-ylindazol-7-yl)oxymethyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[(2-methyl-4-propan-2-ylindazol-7-yl)oxymethyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[(2-methyl-4-propan-2-ylindazol-7-yl)oxymethyl]cyclopropane-1-carbonitrile is CC(C)c1ccc(OCC2(C#N)CC2)c2nn(C)cc12.
What is the InChIKey of 1-[(2-methyl-4-propan-2-ylindazol-7-yl)oxymethyl]cyclopropane-1-carbonitrile?
The InChIKey is KMYHKSUSXKDTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11(2)12-4-5-14(15-13(12)8-19(3)18-15)20-10-16(9-17)6-7-16/h4-5,8,11H,6-7,10H2,1-3H3.
What are the key properties of 1-[(2-methyl-4-propan-2-ylindazol-7-yl)oxymethyl]cyclopropane-1-carbonitrile?
1-[(2-methyl-4-propan-2-ylindazol-7-yl)oxymethyl]cyclopropane-1-carbonitrile has a molecular weight of 269.35 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-4-propan-2-ylindazol-7-yl)oxymethyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 171760353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).