(3R)-3-(3-cyclopropyl-5-methylindazol-1-yl)butanenitrile

C15H17N3 — CID 121278199

IUPAC(3R)-3-(3-cyclopropyl-5-methylindazol-1-yl)butanenitrile
SMILESCc1ccc2c(c1)c(C1CC1)nn2[C@H](C)CC#N
InChIInChI=1S/C15H17N3/c1-10-3-6-14-13(9-10)15(12-4-5-12)17-18(14)11(2)7-8-16/h3,6,9,11-12H,4-5,7H2,1-2H3/t11-/m1/s1
InChIKeyDYGSSPBSKQRKKL-LLVKDONJSA-N
MW239.32 g/mol
LogP3.70
Rot. Bonds3

About (3R)-3-(3-cyclopropyl-5-methylindazol-1-yl)butanenitrile

(3R)-3-(3-cyclopropyl-5-methylindazol-1-yl)butanenitrile (PubChem CID 121278199) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is (3R)-3-(3-cyclopropyl-5-methylindazol-1-yl)butanenitrile.

Molecular Properties

Compound Name(3R)-3-(3-cyclopropyl-5-methylindazol-1-yl)butanenitrile
PubChem CID121278199
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name(3R)-3-(3-cyclopropyl-5-methylindazol-1-yl)butanenitrile
SMILESCc1ccc2c(c1)c(C1CC1)nn2[C@H](C)CC#N
InChIInChI=1S/C15H17N3/c1-10-3-6-14-13(9-10)15(12-4-5-12)17-18(14)11(2)7-8-16/h3,6,9,11-12H,4-5,7H2,1-2H3/t11-/m1/s1
InChIKeyDYGSSPBSKQRKKL-LLVKDONJSA-N
XLogP3.70
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-cyclopropyl-5-methylindazol-1-yl)butanenitrile?
The IUPAC name of (3R)-3-(3-cyclopropyl-5-methylindazol-1-yl)butanenitrile (CID 121278199) is (3R)-3-(3-cyclopropyl-5-methylindazol-1-yl)butanenitrile.
What is the SMILES notation for (3R)-3-(3-cyclopropyl-5-methylindazol-1-yl)butanenitrile?
The canonical SMILES for (3R)-3-(3-cyclopropyl-5-methylindazol-1-yl)butanenitrile is Cc1ccc2c(c1)c(C1CC1)nn2[C@H](C)CC#N.
What is the InChIKey of (3R)-3-(3-cyclopropyl-5-methylindazol-1-yl)butanenitrile?
The InChIKey is DYGSSPBSKQRKKL-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17N3/c1-10-3-6-14-13(9-10)15(12-4-5-12)17-18(14)11(2)7-8-16/h3,6,9,11-12H,4-5,7H2,1-2H3/t11-/m1/s1.
What are the key properties of (3R)-3-(3-cyclopropyl-5-methylindazol-1-yl)butanenitrile?
(3R)-3-(3-cyclopropyl-5-methylindazol-1-yl)butanenitrile has a molecular weight of 239.32 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-cyclopropyl-5-methylindazol-1-yl)butanenitrile is sourced from PubChem (CID 121278199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).