N-[4-(2-hydroxyethoxy)-3-methylphenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C17H21N3O3 — CID 75502190

IUPACN-[4-(2-hydroxyethoxy)-3-methylphenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCc1cc(NC(=O)c2n[nH]c3c2CCCC3)ccc1OCCO
InChIInChI=1S/C17H21N3O3/c1-11-10-12(6-7-15(11)23-9-8-21)18-17(22)16-13-4-2-3-5-14(13)19-20-16/h6-7,10,21H,2-5,8-9H2,1H3,(H,18,22)(H,19,20)
InChIKeyNTAUWOZBKRGXDP-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.22
Rot. Bonds5

About N-[4-(2-hydroxyethoxy)-3-methylphenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[4-(2-hydroxyethoxy)-3-methylphenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 75502190) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[4-(2-hydroxyethoxy)-3-methylphenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethoxy)-3-methylphenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID75502190
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[4-(2-hydroxyethoxy)-3-methylphenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCc1cc(NC(=O)c2n[nH]c3c2CCCC3)ccc1OCCO
InChIInChI=1S/C17H21N3O3/c1-11-10-12(6-7-15(11)23-9-8-21)18-17(22)16-13-4-2-3-5-14(13)19-20-16/h6-7,10,21H,2-5,8-9H2,1H3,(H,18,22)(H,19,20)
InChIKeyNTAUWOZBKRGXDP-UHFFFAOYSA-N
XLogP2.22
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethoxy)-3-methylphenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[4-(2-hydroxyethoxy)-3-methylphenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 75502190) is N-[4-(2-hydroxyethoxy)-3-methylphenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[4-(2-hydroxyethoxy)-3-methylphenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[4-(2-hydroxyethoxy)-3-methylphenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is Cc1cc(NC(=O)c2n[nH]c3c2CCCC3)ccc1OCCO.
What is the InChIKey of N-[4-(2-hydroxyethoxy)-3-methylphenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is NTAUWOZBKRGXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11-10-12(6-7-15(11)23-9-8-21)18-17(22)16-13-4-2-3-5-14(13)19-20-16/h6-7,10,21H,2-5,8-9H2,1H3,(H,18,22)(H,19,20).
What are the key properties of N-[4-(2-hydroxyethoxy)-3-methylphenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[4-(2-hydroxyethoxy)-3-methylphenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethoxy)-3-methylphenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 75502190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).