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

C18H23N3O — CID 112820248

IUPACN-[1-(4-ethylphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCCc1ccc(C(C)NC(=O)c2n[nH]c3c2CCCC3)cc1
InChIInChI=1S/C18H23N3O/c1-3-13-8-10-14(11-9-13)12(2)19-18(22)17-15-6-4-5-7-16(15)20-21-17/h8-12H,3-7H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyMYBZGTZIBQJZQV-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.34
Rot. Bonds4

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

N-[1-(4-ethylphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 112820248) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID112820248
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-[1-(4-ethylphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCCc1ccc(C(C)NC(=O)c2n[nH]c3c2CCCC3)cc1
InChIInChI=1S/C18H23N3O/c1-3-13-8-10-14(11-9-13)12(2)19-18(22)17-15-6-4-5-7-16(15)20-21-17/h8-12H,3-7H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyMYBZGTZIBQJZQV-UHFFFAOYSA-N
XLogP3.34
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-propan-2-yloxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112820551
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-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
CID 124852516
N-[(1S)-1-(4-ethylphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100706676
N-[1-(4-ethylphenyl)ethyl]pyridine-4-carboxamide
CID 6466147
N-(1-phenylpropylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 3455772
N-benzyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;hydrochloride
CID 44667187
(2R)-4-methyl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)pentanoic acid
CID 91645213
N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110625528
N-(1-thiophen-2-ylpropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 131923513
N-[(4-propan-2-ylphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 687707

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 112820248) is N-[1-(4-ethylphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is CCc1ccc(C(C)NC(=O)c2n[nH]c3c2CCCC3)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is MYBZGTZIBQJZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-3-13-8-10-14(11-9-13)12(2)19-18(22)17-15-6-4-5-7-16(15)20-21-17/h8-12H,3-7H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[1-(4-ethylphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[1-(4-ethylphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 112820248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).