3-methyl-2-(1-methylindazole-3-carbonyl)butanenitrile

C14H15N3O — CID 103118535

IUPAC3-methyl-2-(1-methylindazole-3-carbonyl)butanenitrile
SMILESCC(C)C(C#N)C(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C14H15N3O/c1-9(2)11(8-15)14(18)13-10-6-4-5-7-12(10)17(3)16-13/h4-7,9,11H,1-3H3
InChIKeySVEADBICYDAMFP-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.55
Rot. Bonds3

About 3-methyl-2-(1-methylindazole-3-carbonyl)butanenitrile

3-methyl-2-(1-methylindazole-3-carbonyl)butanenitrile (PubChem CID 103118535) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-methyl-2-(1-methylindazole-3-carbonyl)butanenitrile.

Molecular Properties

Compound Name3-methyl-2-(1-methylindazole-3-carbonyl)butanenitrile
PubChem CID103118535
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name3-methyl-2-(1-methylindazole-3-carbonyl)butanenitrile
SMILESCC(C)C(C#N)C(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C14H15N3O/c1-9(2)11(8-15)14(18)13-10-6-4-5-7-12(10)17(3)16-13/h4-7,9,11H,1-3H3
InChIKeySVEADBICYDAMFP-UHFFFAOYSA-N
XLogP2.55
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methylindazole-3-carbonyl)pentane-2,4-dione
CID 103119426
2-methyl-1-(1-methylindazol-3-yl)pentan-1-one
CID 107891232
N-(2-cyanopropyl)-N,1-dimethylindazole-3-carboxamide
CID 103117767
1-(furan-2-yl)-2-methyl-3-(1-methylindazol-3-yl)propane-1,3-dione
CID 103119304
N-(2-chloropropyl)-1-methylindazole-3-carboxamide
CID 103122559
3-methyl-2-(pyrazolo[1,5-a]pyridine-3-carbonyl)butanenitrile
CID 103118537
(2-fluorophenyl)-(1-methylindazol-3-yl)methanone
CID 103124147
3-methyl-2-[[(1-methylindazole-3-carbonyl)amino]methyl]butanoic acid
CID 103116907
1-(1-methylindazol-3-yl)pent-3-yn-1-one
CID 103124096
3-[(1-methylindazole-3-carbonyl)amino]butanoic acid
CID 103116476
2-[(1-methylindazole-3-carbonyl)-propan-2-ylamino]acetic acid
CID 103116549
1-(1-methylindazol-3-yl)-3-phenylpropane-1,3-dione
CID 103119110

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(1-methylindazole-3-carbonyl)butanenitrile?
The IUPAC name of 3-methyl-2-(1-methylindazole-3-carbonyl)butanenitrile (CID 103118535) is 3-methyl-2-(1-methylindazole-3-carbonyl)butanenitrile.
What is the SMILES notation for 3-methyl-2-(1-methylindazole-3-carbonyl)butanenitrile?
The canonical SMILES for 3-methyl-2-(1-methylindazole-3-carbonyl)butanenitrile is CC(C)C(C#N)C(=O)c1nn(C)c2ccccc12.
What is the InChIKey of 3-methyl-2-(1-methylindazole-3-carbonyl)butanenitrile?
The InChIKey is SVEADBICYDAMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-9(2)11(8-15)14(18)13-10-6-4-5-7-12(10)17(3)16-13/h4-7,9,11H,1-3H3.
What are the key properties of 3-methyl-2-(1-methylindazole-3-carbonyl)butanenitrile?
3-methyl-2-(1-methylindazole-3-carbonyl)butanenitrile has a molecular weight of 241.29 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(1-methylindazole-3-carbonyl)butanenitrile is sourced from PubChem (CID 103118535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).