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

C19H28N4O2 — CID 45162893

IUPAC1-methyl-N-[(5-methylfuran-2-yl)methyl]-5-(2-methylpropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCc1ccc(CNC(=O)c2nn(C)c3c2CC(NCC(C)C)CC3)o1
InChIInChI=1S/C19H28N4O2/c1-12(2)10-20-14-6-8-17-16(9-14)18(22-23(17)4)19(24)21-11-15-7-5-13(3)25-15/h5,7,12,14,20H,6,8-11H2,1-4H3,(H,21,24)
InChIKeyHIRQXBLUZDOYNS-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.35
Rot. Bonds6

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

1-methyl-N-[(5-methylfuran-2-yl)methyl]-5-(2-methylpropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 45162893) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-methyl-N-[(5-methylfuran-2-yl)methyl]-5-(2-methylpropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(5-methylfuran-2-yl)methyl]-5-(2-methylpropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID45162893
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-methyl-N-[(5-methylfuran-2-yl)methyl]-5-(2-methylpropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCc1ccc(CNC(=O)c2nn(C)c3c2CC(NCC(C)C)CC3)o1
InChIInChI=1S/C19H28N4O2/c1-12(2)10-20-14-6-8-17-16(9-14)18(22-23(17)4)19(24)21-11-15-7-5-13(3)25-15/h5,7,12,14,20H,6,8-11H2,1-4H3,(H,21,24)
InChIKeyHIRQXBLUZDOYNS-UHFFFAOYSA-N
XLogP2.35
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-methyl-N-[(5-methylfuran-2-yl)methyl]-5-(2-methylpropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide with MolForge

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Related Compounds

1-methyl-5-(3-methylbutylamino)-N-[(5-methylfuran-2-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45160325
N-[(4-fluorophenyl)methyl]-1-methyl-5-[(3-methyl-1,2-oxazol-5-yl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165457
1-methyl-5-(3-methylbutylamino)-N-(2-phenylethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165215
1-methyl-5-[(2-methylphenyl)methylamino]-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45162368
[(5R)-1-ethyl-5-[(5-methylfuran-2-yl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone
CID 26140415
5-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165291
N-methyl-5-(2-methylpropylamino)-1-(2-phenylethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45160989
1-methyl-N-(2-phenylethyl)-5-(propan-2-ylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165012
(5S)-N-[(2-fluorophenyl)methyl]-1-methyl-5-(pyridin-2-ylmethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26220766
N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 50965537
N,1-dimethyl-5-[2-(4-phenylpiperidin-1-yl)ethylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45162379
(5R)-N-(furan-2-ylmethyl)-N,1-dimethyl-5-(3-propan-2-yloxypropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26142306

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(5-methylfuran-2-yl)methyl]-5-(2-methylpropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[(5-methylfuran-2-yl)methyl]-5-(2-methylpropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 45162893) is 1-methyl-N-[(5-methylfuran-2-yl)methyl]-5-(2-methylpropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[(5-methylfuran-2-yl)methyl]-5-(2-methylpropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[(5-methylfuran-2-yl)methyl]-5-(2-methylpropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide is Cc1ccc(CNC(=O)c2nn(C)c3c2CC(NCC(C)C)CC3)o1.
What is the InChIKey of 1-methyl-N-[(5-methylfuran-2-yl)methyl]-5-(2-methylpropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is HIRQXBLUZDOYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-12(2)10-20-14-6-8-17-16(9-14)18(22-23(17)4)19(24)21-11-15-7-5-13(3)25-15/h5,7,12,14,20H,6,8-11H2,1-4H3,(H,21,24).
What are the key properties of 1-methyl-N-[(5-methylfuran-2-yl)methyl]-5-(2-methylpropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide?
1-methyl-N-[(5-methylfuran-2-yl)methyl]-5-(2-methylpropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(5-methylfuran-2-yl)methyl]-5-(2-methylpropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 45162893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).