N-[(1-methylindazol-3-yl)methyl]propanamide

C12H15N3O — CID 165111569

IUPACN-[(1-methylindazol-3-yl)methyl]propanamide
SMILESCCC(=O)NCc1nn(C)c2ccccc12
InChIInChI=1S/C12H15N3O/c1-3-12(16)13-8-10-9-6-4-5-7-11(9)15(2)14-10/h4-7H,3,8H2,1-2H3,(H,13,16)
InChIKeyDEHXEHSVIKWPOQ-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.60
Rot. Bonds3

About N-[(1-methylindazol-3-yl)methyl]propanamide

N-[(1-methylindazol-3-yl)methyl]propanamide (PubChem CID 165111569) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-[(1-methylindazol-3-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(1-methylindazol-3-yl)methyl]propanamide
PubChem CID165111569
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-[(1-methylindazol-3-yl)methyl]propanamide
SMILESCCC(=O)NCc1nn(C)c2ccccc12
InChIInChI=1S/C12H15N3O/c1-3-12(16)13-8-10-9-6-4-5-7-11(9)15(2)14-10/h4-7H,3,8H2,1-2H3,(H,13,16)
InChIKeyDEHXEHSVIKWPOQ-UHFFFAOYSA-N
XLogP1.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 33474
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CID 86567422
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CID 102144602
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CID 154735174
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CID 86280478
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CID 68894304
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CID 86294248
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CID 91936927
CID 91936927

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylindazol-3-yl)methyl]propanamide?
The IUPAC name of N-[(1-methylindazol-3-yl)methyl]propanamide (CID 165111569) is N-[(1-methylindazol-3-yl)methyl]propanamide.
What is the SMILES notation for N-[(1-methylindazol-3-yl)methyl]propanamide?
The canonical SMILES for N-[(1-methylindazol-3-yl)methyl]propanamide is CCC(=O)NCc1nn(C)c2ccccc12.
What is the InChIKey of N-[(1-methylindazol-3-yl)methyl]propanamide?
The InChIKey is DEHXEHSVIKWPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-3-12(16)13-8-10-9-6-4-5-7-11(9)15(2)14-10/h4-7H,3,8H2,1-2H3,(H,13,16).
What are the key properties of N-[(1-methylindazol-3-yl)methyl]propanamide?
N-[(1-methylindazol-3-yl)methyl]propanamide has a molecular weight of 217.27 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylindazol-3-yl)methyl]propanamide is sourced from PubChem (CID 165111569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).