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

C20H30N4O2 — CID 45160325

IUPAC1-methyl-5-(3-methylbutylamino)-N-[(5-methylfuran-2-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCc1ccc(CNC(=O)c2nn(C)c3c2CC(NCCC(C)C)CC3)o1
InChIInChI=1S/C20H30N4O2/c1-13(2)9-10-21-15-6-8-18-17(11-15)19(23-24(18)4)20(25)22-12-16-7-5-14(3)26-16/h5,7,13,15,21H,6,8-12H2,1-4H3,(H,22,25)
InChIKeyMRYQBDZWADTQDT-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.74
Rot. Bonds7

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

1-methyl-5-(3-methylbutylamino)-N-[(5-methylfuran-2-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 45160325) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 1-methyl-5-(3-methylbutylamino)-N-[(5-methylfuran-2-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-5-(3-methylbutylamino)-N-[(5-methylfuran-2-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID45160325
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name1-methyl-5-(3-methylbutylamino)-N-[(5-methylfuran-2-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCc1ccc(CNC(=O)c2nn(C)c3c2CC(NCCC(C)C)CC3)o1
InChIInChI=1S/C20H30N4O2/c1-13(2)9-10-21-15-6-8-18-17(11-15)19(23-24(18)4)20(25)22-12-16-7-5-14(3)26-16/h5,7,13,15,21H,6,8-12H2,1-4H3,(H,22,25)
InChIKeyMRYQBDZWADTQDT-UHFFFAOYSA-N
XLogP2.74
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(3-methylbutylamino)-N-[(5-methylfuran-2-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 1-methyl-5-(3-methylbutylamino)-N-[(5-methylfuran-2-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 45160325) is 1-methyl-5-(3-methylbutylamino)-N-[(5-methylfuran-2-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 1-methyl-5-(3-methylbutylamino)-N-[(5-methylfuran-2-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 1-methyl-5-(3-methylbutylamino)-N-[(5-methylfuran-2-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide is Cc1ccc(CNC(=O)c2nn(C)c3c2CC(NCCC(C)C)CC3)o1.
What is the InChIKey of 1-methyl-5-(3-methylbutylamino)-N-[(5-methylfuran-2-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is MRYQBDZWADTQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-13(2)9-10-21-15-6-8-18-17(11-15)19(23-24(18)4)20(25)22-12-16-7-5-14(3)26-16/h5,7,13,15,21H,6,8-12H2,1-4H3,(H,22,25).
What are the key properties of 1-methyl-5-(3-methylbutylamino)-N-[(5-methylfuran-2-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
1-methyl-5-(3-methylbutylamino)-N-[(5-methylfuran-2-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(3-methylbutylamino)-N-[(5-methylfuran-2-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 45160325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).