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

C19H23N3O2 — CID 126795440

IUPACN-[(2-cyclobutyloxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
SMILESO=C(NCc1ccccc1OC1CCC1)C1CCCc2[nH]ncc21
InChIInChI=1S/C19H23N3O2/c23-19(15-8-4-9-17-16(15)12-21-22-17)20-11-13-5-1-2-10-18(13)24-14-6-3-7-14/h1-2,5,10,12,14-15H,3-4,6-9,11H2,(H,20,23)(H,21,22)
InChIKeyPPXBUNPTACIYMF-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.08
Rot. Bonds5

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

N-[(2-cyclobutyloxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide (PubChem CID 126795440) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[(2-cyclobutyloxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-cyclobutyloxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
PubChem CID126795440
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[(2-cyclobutyloxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
SMILESO=C(NCc1ccccc1OC1CCC1)C1CCCc2[nH]ncc21
InChIInChI=1S/C19H23N3O2/c23-19(15-8-4-9-17-16(15)12-21-22-17)20-11-13-5-1-2-10-18(13)24-14-6-3-7-14/h1-2,5,10,12,14-15H,3-4,6-9,11H2,(H,20,23)(H,21,22)
InChIKeyPPXBUNPTACIYMF-UHFFFAOYSA-N
XLogP3.08
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-cyclobutyloxyphenyl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
CID 75383144
N-[(3-hydroxycyclohexyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 127458146
N-hydroxy-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 130625748
5-[(2-cyclobutyloxyphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685709
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 126772649
3-amino-N-[(2-cyclobutyloxyphenyl)methyl]cyclopentane-1-carboxamide
CID 119796168
2-amino-N-[(2-cyclopentyloxyphenyl)methyl]acetamide
CID 119284470
methyl (2R)-2-(4-fluorophenyl)-3-[[(4S)-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl]amino]propanoate
CID 124624899
1-[(2-cyclobutyloxyphenyl)methyl]-3-(3-hydroxypropyl)urea
CID 111428441
(3S,4S)-N-[(2-cyclobutyloxyphenyl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120934187
N-[(2-cyclobutyloxyphenyl)methyl]-2-(methylamino)acetamide
CID 119796176
3-amino-N-[(2-cyclopentyloxyphenyl)methyl]propanamide
CID 119284468

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclobutyloxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The IUPAC name of N-[(2-cyclobutyloxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide (CID 126795440) is N-[(2-cyclobutyloxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide.
What is the SMILES notation for N-[(2-cyclobutyloxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The canonical SMILES for N-[(2-cyclobutyloxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide is O=C(NCc1ccccc1OC1CCC1)C1CCCc2[nH]ncc21.
What is the InChIKey of N-[(2-cyclobutyloxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The InChIKey is PPXBUNPTACIYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-19(15-8-4-9-17-16(15)12-21-22-17)20-11-13-5-1-2-10-18(13)24-14-6-3-7-14/h1-2,5,10,12,14-15H,3-4,6-9,11H2,(H,20,23)(H,21,22).
What are the key properties of N-[(2-cyclobutyloxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
N-[(2-cyclobutyloxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclobutyloxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide is sourced from PubChem (CID 126795440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).