N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide

C18H26N4O2 — CID 50965537

IUPACN-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCc1ccc(C(CNC(=O)c2nn(C)c3c2CCCC3)N(C)C)o1
InChIInChI=1S/C18H26N4O2/c1-12-9-10-16(24-12)15(21(2)3)11-19-18(23)17-13-7-5-6-8-14(13)22(4)20-17/h9-10,15H,5-8,11H2,1-4H3,(H,19,23)
InChIKeyVFVRCDWMPHUVNG-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.23
Rot. Bonds5

About N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide

N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 50965537) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID50965537
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCc1ccc(C(CNC(=O)c2nn(C)c3c2CCCC3)N(C)C)o1
InChIInChI=1S/C18H26N4O2/c1-12-9-10-16(24-12)15(21(2)3)11-19-18(23)17-13-7-5-6-8-14(13)22(4)20-17/h9-10,15H,5-8,11H2,1-4H3,(H,19,23)
InChIKeyVFVRCDWMPHUVNG-UHFFFAOYSA-N
XLogP2.23
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]benzamide
CID 22509557
N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-fluorobenzamide
CID 26834409
4-tert-butyl-N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]benzamide
CID 26834395
N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-3-methylbenzamide
CID 26834391
N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-ethoxybenzamide
CID 26834445
N-[(4-fluorophenyl)methyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389004
N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]furan-2-carboxamide
CID 26834441
2-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]acetamide
CID 26834501
1-methyl-N-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389066
1-methyl-N-[(5-methylfuran-2-yl)methyl]-5-(2-methylpropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45162893
1-methyl-N-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 71720843
N-[(1R)-2-hydroxy-1-phenylethyl]-1-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 91104300

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 50965537) is N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide is Cc1ccc(C(CNC(=O)c2nn(C)c3c2CCCC3)N(C)C)o1.
What is the InChIKey of N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is VFVRCDWMPHUVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-12-9-10-16(24-12)15(21(2)3)11-19-18(23)17-13-7-5-6-8-14(13)22(4)20-17/h9-10,15H,5-8,11H2,1-4H3,(H,19,23).
What are the key properties of N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 50965537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).