N-[1-(4-propan-2-yloxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C19H25N3O2 — CID 112820551

IUPACN-[1-(4-propan-2-yloxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCC(C)Oc1ccc(C(C)NC(=O)c2n[nH]c3c2CCCC3)cc1
InChIInChI=1S/C19H25N3O2/c1-12(2)24-15-10-8-14(9-11-15)13(3)20-19(23)18-16-6-4-5-7-17(16)21-22-18/h8-13H,4-7H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyZOACXTJSUPBWMC-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.57
Rot. Bonds5

About N-[1-(4-propan-2-yloxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[1-(4-propan-2-yloxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 112820551) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[1-(4-propan-2-yloxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-propan-2-yloxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID112820551
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-[1-(4-propan-2-yloxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCC(C)Oc1ccc(C(C)NC(=O)c2n[nH]c3c2CCCC3)cc1
InChIInChI=1S/C19H25N3O2/c1-12(2)24-15-10-8-14(9-11-15)13(3)20-19(23)18-16-6-4-5-7-17(16)21-22-18/h8-13H,4-7H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyZOACXTJSUPBWMC-UHFFFAOYSA-N
XLogP3.57
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-ethylphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112820248
N-[1-[3-(hydroxycarbamoyl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;methane
CID 159508218
N-[1-(4-bromophenyl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112842470
N-[(4-propan-2-ylphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 687707
3-N-[1-(4-propan-2-yloxyphenyl)ethyl]pyrazine-2,3-dicarboxamide
CID 136529703
N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
CID 124852516
N-(4-ethoxyphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388915
N-[2-(4-methoxyphenoxy)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110415041
N-[(4-propan-2-ylphenyl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 3831374
N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 124843448
N-phenyl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
CID 53017362
2,3-dimethyl-2-(4,5,6,7-tetrahydro-1H-indazole-3-carbonylamino)butanoic acid
CID 75497786

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-propan-2-yloxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-(4-propan-2-yloxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 112820551) is N-[1-(4-propan-2-yloxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-(4-propan-2-yloxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-(4-propan-2-yloxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is CC(C)Oc1ccc(C(C)NC(=O)c2n[nH]c3c2CCCC3)cc1.
What is the InChIKey of N-[1-(4-propan-2-yloxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is ZOACXTJSUPBWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-12(2)24-15-10-8-14(9-11-15)13(3)20-19(23)18-16-6-4-5-7-17(16)21-22-18/h8-13H,4-7H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-[1-(4-propan-2-yloxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[1-(4-propan-2-yloxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-propan-2-yloxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 112820551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).