2,2-dimethyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]propanamide

C14H23N3O — CID 71808274

IUPAC2,2-dimethyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]propanamide
SMILESCn1nc(CNC(=O)C(C)(C)C)c2c1CCCC2
InChIInChI=1S/C14H23N3O/c1-14(2,3)13(18)15-9-11-10-7-5-6-8-12(10)17(4)16-11/h5-9H2,1-4H3,(H,15,18)
InChIKeyVCCYMJGTSOEVLD-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.96
Rot. Bonds2

About 2,2-dimethyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]propanamide

2,2-dimethyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]propanamide (PubChem CID 71808274) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]propanamide
PubChem CID71808274
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2,2-dimethyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]propanamide
SMILESCn1nc(CNC(=O)C(C)(C)C)c2c1CCCC2
InChIInChI=1S/C14H23N3O/c1-14(2,3)13(18)15-9-11-10-7-5-6-8-12(10)17(4)16-11/h5-9H2,1-4H3,(H,15,18)
InChIKeyVCCYMJGTSOEVLD-UHFFFAOYSA-N
XLogP1.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]propanamide
CID 71808271
3-bromo-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]benzamide
CID 71808327
1-[2-(4-methoxyphenyl)ethyl]-3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]urea
CID 71808370
3-ethyl-1-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole
CID 123686375
1-(1,3-benzodioxol-5-yl)-3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]urea
CID 71808368
N-methyl-2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)ethanamine
CID 84665096
1-methyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]imidazole-4-sulfonamide
CID 71808376
(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanesulfonyl chloride
CID 84706764
N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 167968162
tert-butyl 3-[[(2-chloroacetyl)amino]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 146095040
1-methyl-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 95197422
N-[(4-fluorophenyl)methyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389004

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]propanamide (CID 71808274) is 2,2-dimethyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]propanamide is Cn1nc(CNC(=O)C(C)(C)C)c2c1CCCC2.
What is the InChIKey of 2,2-dimethyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]propanamide?
The InChIKey is VCCYMJGTSOEVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-14(2,3)13(18)15-9-11-10-7-5-6-8-12(10)17(4)16-11/h5-9H2,1-4H3,(H,15,18).
What are the key properties of 2,2-dimethyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]propanamide?
2,2-dimethyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]propanamide has a molecular weight of 249.36 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]propanamide is sourced from PubChem (CID 71808274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).