N-[2-(1-benzylimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide

C20H23N5O — CID 126781231

IUPACN-[2-(1-benzylimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
SMILESO=C(NCCc1nccn1Cc1ccccc1)C1CCCc2[nH]ncc21
InChIInChI=1S/C20H23N5O/c26-20(16-7-4-8-18-17(16)13-23-24-18)22-10-9-19-21-11-12-25(19)14-15-5-2-1-3-6-15/h1-3,5-6,11-13,16H,4,7-10,14H2,(H,22,26)(H,23,24)
InChIKeyQLWTWZDSRYDJMP-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.43
Rot. Bonds6

About N-[2-(1-benzylimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide

N-[2-(1-benzylimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide (PubChem CID 126781231) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[2-(1-benzylimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzylimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
PubChem CID126781231
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-[2-(1-benzylimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
SMILESO=C(NCCc1nccn1Cc1ccccc1)C1CCCc2[nH]ncc21
InChIInChI=1S/C20H23N5O/c26-20(16-7-4-8-18-17(16)13-23-24-18)22-10-9-19-21-11-12-25(19)14-15-5-2-1-3-6-15/h1-3,5-6,11-13,16H,4,7-10,14H2,(H,22,26)(H,23,24)
InChIKeyQLWTWZDSRYDJMP-UHFFFAOYSA-N
XLogP2.43
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 126783511
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N-[2-(1-benzylimidazol-2-yl)ethyl]-2-pyrrolidin-3-ylacetamide
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N-[2-(1-benzylimidazol-2-yl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
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N-[2-(1-benzylimidazol-2-yl)ethyl]-2,3-dimethylpiperidine-1-carboxamide
CID 75468026
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 86852704
N-[2-(1-benzylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
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CID 134039644
N-[2-(1-benzylimidazol-2-yl)ethyl]furan-2-carboxamide
CID 134039640
N-[2-(1-benzylimidazol-2-yl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 134027595
N-[(2-cyclobutyloxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 126795440

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide (CID 126781231) is N-[2-(1-benzylimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide.
What is the SMILES notation for N-[2-(1-benzylimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The canonical SMILES for N-[2-(1-benzylimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide is O=C(NCCc1nccn1Cc1ccccc1)C1CCCc2[nH]ncc21.
What is the InChIKey of N-[2-(1-benzylimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The InChIKey is QLWTWZDSRYDJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c26-20(16-7-4-8-18-17(16)13-23-24-18)22-10-9-19-21-11-12-25(19)14-15-5-2-1-3-6-15/h1-3,5-6,11-13,16H,4,7-10,14H2,(H,22,26)(H,23,24).
What are the key properties of N-[2-(1-benzylimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
N-[2-(1-benzylimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide is sourced from PubChem (CID 126781231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).