N-[2-(1-methylindazol-3-yl)propan-2-yl]formamide

C12H15N3O — CID 145079677

IUPACN-[2-(1-methylindazol-3-yl)propan-2-yl]formamide
SMILESCn1nc(C(C)(C)NC=O)c2ccccc21
InChIInChI=1S/C12H15N3O/c1-12(2,13-8-16)11-9-6-4-5-7-10(9)15(3)14-11/h4-8H,1-3H3,(H,13,16)
InChIKeyXXILFNUGLOUHFX-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.55
Rot. Bonds3

About N-[2-(1-methylindazol-3-yl)propan-2-yl]formamide

N-[2-(1-methylindazol-3-yl)propan-2-yl]formamide (PubChem CID 145079677) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-[2-(1-methylindazol-3-yl)propan-2-yl]formamide.

Molecular Properties

Compound NameN-[2-(1-methylindazol-3-yl)propan-2-yl]formamide
PubChem CID145079677
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-[2-(1-methylindazol-3-yl)propan-2-yl]formamide
SMILESCn1nc(C(C)(C)NC=O)c2ccccc21
InChIInChI=1S/C12H15N3O/c1-12(2,13-8-16)11-9-6-4-5-7-10(9)15(3)14-11/h4-8H,1-3H3,(H,13,16)
InChIKeyXXILFNUGLOUHFX-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-(trifluoromethyl)indazole
CID 83446574
N-[2-(1-methylindazol-3-yl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide
CID 166072170
(1R,5S)-N-[2-(1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 86294248
S-[1-(1-methylindazol-3-yl)ethyl] N-formylcarbamothioate
CID 142623416
N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]formamide
CID 146613972
3-(difluoromethyl)-1-methylindazole
CID 153487584
1-methyl-N-(2-pyridin-2-ylpropan-2-yl)indazole-3-carboxamide
CID 166081591
3,3-dimethyl-4-(1-methylindazol-3-yl)-N-(2-methylpropyl)butan-1-amine
CID 81026787
N,1-dimethyl-N-phenylindazole-3-carboxamide
CID 110856917
2-methyl-2-N-[(1-methylindazol-3-yl)methyl]propane-1,2-diamine
CID 112738161
5-(1-methylindazol-3-yl)thiophene-2-carbaldehyde
CID 177498837
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-methylindazole-3-carboxamide
CID 103120277

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylindazol-3-yl)propan-2-yl]formamide?
The IUPAC name of N-[2-(1-methylindazol-3-yl)propan-2-yl]formamide (CID 145079677) is N-[2-(1-methylindazol-3-yl)propan-2-yl]formamide.
What is the SMILES notation for N-[2-(1-methylindazol-3-yl)propan-2-yl]formamide?
The canonical SMILES for N-[2-(1-methylindazol-3-yl)propan-2-yl]formamide is Cn1nc(C(C)(C)NC=O)c2ccccc21.
What is the InChIKey of N-[2-(1-methylindazol-3-yl)propan-2-yl]formamide?
The InChIKey is XXILFNUGLOUHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-12(2,13-8-16)11-9-6-4-5-7-10(9)15(3)14-11/h4-8H,1-3H3,(H,13,16).
What are the key properties of N-[2-(1-methylindazol-3-yl)propan-2-yl]formamide?
N-[2-(1-methylindazol-3-yl)propan-2-yl]formamide has a molecular weight of 217.27 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylindazol-3-yl)propan-2-yl]formamide is sourced from PubChem (CID 145079677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).