N-butan-2-yl-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide

C14H23N3O — CID 5308018

IUPACN-butan-2-yl-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCCC(C)NC(=O)Cn1cc2c(n1)CCC(C)C2
InChIInChI=1S/C14H23N3O/c1-4-11(3)15-14(18)9-17-8-12-7-10(2)5-6-13(12)16-17/h8,10-11H,4-7,9H2,1-3H3,(H,15,18)
InChIKeyOMBWNPPMZGQQJI-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.92
Rot. Bonds4

About N-butan-2-yl-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide

N-butan-2-yl-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide (PubChem CID 5308018) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-butan-2-yl-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
PubChem CID5308018
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-butan-2-yl-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCCC(C)NC(=O)Cn1cc2c(n1)CCC(C)C2
InChIInChI=1S/C14H23N3O/c1-4-11(3)15-14(18)9-17-8-12-7-10(2)5-6-13(12)16-17/h8,10-11H,4-7,9H2,1-3H3,(H,15,18)
InChIKeyOMBWNPPMZGQQJI-UHFFFAOYSA-N
XLogP1.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 20892371
N-(3,5-dimethylphenyl)-2-[(6S)-6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl]acetamide
CID 92714761
N-[(2S)-butan-2-yl]-2-[(7S)-7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl]acetamide
CID 7575117
2-(3-aminopyrazol-1-yl)-N-butan-2-ylacetamide
CID 60783220
1-[2-(butan-2-ylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19624158
2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)-N-methylacetamide
CID 20892501
N-butan-2-yl-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 47106290
N-butan-2-yl-2-(3-carbamothioyl-1,2,4-triazol-1-yl)acetamide
CID 62950345
N-butan-2-yl-2-(4,5,6,7-tetrahydroindazol-1-yl)acetamide
CID 86804576
2-[1-[2-(butan-2-ylamino)-2-oxoethyl]triazol-4-yl]acetic acid
CID 107461255
potassium;ethyl 3-[2-(2-methoxy-2-oxoethyl)-4,5,6,7-tetrahydroindazol-5-yl]-3-oxopropanoate;hexakis(tritide)
CID 157326738
2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 134045389

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide (CID 5308018) is N-butan-2-yl-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide is CCC(C)NC(=O)Cn1cc2c(n1)CCC(C)C2.
What is the InChIKey of N-butan-2-yl-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The InChIKey is OMBWNPPMZGQQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-11(3)15-14(18)9-17-8-12-7-10(2)5-6-13(12)16-17/h8,10-11H,4-7,9H2,1-3H3,(H,15,18).
What are the key properties of N-butan-2-yl-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
N-butan-2-yl-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide has a molecular weight of 249.36 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide is sourced from PubChem (CID 5308018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).