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

C21H27N3O3 — CID 71709201

IUPACN-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCOc1ccc(C2(CNC(=O)c3n[nH]c4c3CCCC4)CCOCC2)cc1
InChIInChI=1S/C21H27N3O3/c1-26-16-8-6-15(7-9-16)21(10-12-27-13-11-21)14-22-20(25)19-17-4-2-3-5-18(17)23-24-19/h6-9H,2-5,10-14H2,1H3,(H,22,25)(H,23,24)
InChIKeyDZHDGYQRUDFCPB-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.78
Rot. Bonds5

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

N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 71709201) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID71709201
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCOc1ccc(C2(CNC(=O)c3n[nH]c4c3CCCC4)CCOCC2)cc1
InChIInChI=1S/C21H27N3O3/c1-26-16-8-6-15(7-9-16)21(10-12-27-13-11-21)14-22-20(25)19-17-4-2-3-5-18(17)23-24-19/h6-9H,2-5,10-14H2,1H3,(H,22,25)(H,23,24)
InChIKeyDZHDGYQRUDFCPB-UHFFFAOYSA-N
XLogP2.78
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide with MolForge

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Related Compounds

3-(4-methoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-1H-pyrazole-5-carboxamide
CID 71707663
N-[2-(4-methoxyphenoxy)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110415041
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,3-dimethyl-1,4-dihydroquinoxaline-6-carboxamide
CID 91901459
4-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 40617546
5-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]furan-2-carboxamide
CID 86836755
5-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylbenzamide
CID 120625700
4-(methoxymethyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]piperidine-4-carboxamide
CID 120625704
N'-(4-fluorophenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]oxamide
CID 23606974
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-(4-methoxyphenyl)oxamide
CID 27453070
N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 77090690
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-1-methylindole-5-carboxamide
CID 71753531
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 127033831

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 71709201) is N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is COc1ccc(C2(CNC(=O)c3n[nH]c4c3CCCC4)CCOCC2)cc1.
What is the InChIKey of N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is DZHDGYQRUDFCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-26-16-8-6-15(7-9-16)21(10-12-27-13-11-21)14-22-20(25)19-17-4-2-3-5-18(17)23-24-19/h6-9H,2-5,10-14H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 71709201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).