2-(3-methylindazol-1-yl)-N-propan-2-ylpropanamide

C14H19N3O — CID 22509793

IUPAC2-(3-methylindazol-1-yl)-N-propan-2-ylpropanamide
SMILESCc1nn(C(C)C(=O)NC(C)C)c2ccccc12
InChIInChI=1S/C14H19N3O/c1-9(2)15-14(18)11(4)17-13-8-6-5-7-12(13)10(3)16-17/h5-9,11H,1-4H3,(H,15,18)
InChIKeySAUYYFOTNVATRN-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.43
Rot. Bonds3

About 2-(3-methylindazol-1-yl)-N-propan-2-ylpropanamide

2-(3-methylindazol-1-yl)-N-propan-2-ylpropanamide (PubChem CID 22509793) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(3-methylindazol-1-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(3-methylindazol-1-yl)-N-propan-2-ylpropanamide
PubChem CID22509793
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(3-methylindazol-1-yl)-N-propan-2-ylpropanamide
SMILESCc1nn(C(C)C(=O)NC(C)C)c2ccccc12
InChIInChI=1S/C14H19N3O/c1-9(2)15-14(18)11(4)17-13-8-6-5-7-12(13)10(3)16-17/h5-9,11H,1-4H3,(H,15,18)
InChIKeySAUYYFOTNVATRN-UHFFFAOYSA-N
XLogP2.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylindazol-1-yl)-N-propan-2-ylpropanamide?
The IUPAC name of 2-(3-methylindazol-1-yl)-N-propan-2-ylpropanamide (CID 22509793) is 2-(3-methylindazol-1-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(3-methylindazol-1-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(3-methylindazol-1-yl)-N-propan-2-ylpropanamide is Cc1nn(C(C)C(=O)NC(C)C)c2ccccc12.
What is the InChIKey of 2-(3-methylindazol-1-yl)-N-propan-2-ylpropanamide?
The InChIKey is SAUYYFOTNVATRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9(2)15-14(18)11(4)17-13-8-6-5-7-12(13)10(3)16-17/h5-9,11H,1-4H3,(H,15,18).
What are the key properties of 2-(3-methylindazol-1-yl)-N-propan-2-ylpropanamide?
2-(3-methylindazol-1-yl)-N-propan-2-ylpropanamide has a molecular weight of 245.33 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylindazol-1-yl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 22509793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).