N-[(5-methylfuran-2-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C14H17N3O2 — CID 28666019

IUPACN-[(5-methylfuran-2-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCc1ccc(CNC(=O)c2n[nH]c3c2CCCC3)o1
InChIInChI=1S/C14H17N3O2/c1-9-6-7-10(19-9)8-15-14(18)13-11-4-2-3-5-12(11)16-17-13/h6-7H,2-5,8H2,1H3,(H,15,18)(H,16,17)
InChIKeyKAOLBGHHONSLGM-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.12
Rot. Bonds3

About N-[(5-methylfuran-2-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[(5-methylfuran-2-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 28666019) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID28666019
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCc1ccc(CNC(=O)c2n[nH]c3c2CCCC3)o1
InChIInChI=1S/C14H17N3O2/c1-9-6-7-10(19-9)8-15-14(18)13-11-4-2-3-5-12(11)16-17-13/h6-7H,2-5,8H2,1H3,(H,15,18)(H,16,17)
InChIKeyKAOLBGHHONSLGM-UHFFFAOYSA-N
XLogP2.12
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 28666019) is N-[(5-methylfuran-2-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is Cc1ccc(CNC(=O)c2n[nH]c3c2CCCC3)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is KAOLBGHHONSLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-6-7-10(19-9)8-15-14(18)13-11-4-2-3-5-12(11)16-17-13/h6-7H,2-5,8H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[(5-methylfuran-2-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 28666019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).