N'-[1-(3,4-dimethoxyphenyl)ethenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide

C18H22N4O3 — CID 4230884

IUPACN'-[1-(3,4-dimethoxyphenyl)ethenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
SMILESC=C(NNC(=O)c1n[nH]c2c1CCCC2)c1ccc(OC)c(OC)c1
InChIInChI=1S/C18H22N4O3/c1-11(12-8-9-15(24-2)16(10-12)25-3)19-22-18(23)17-13-6-4-5-7-14(13)20-21-17/h8-10,19H,1,4-7H2,2-3H3,(H,20,21)(H,22,23)
InChIKeySDOZPCSZQLSLQL-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.21
Rot. Bonds6

About N'-[1-(3,4-dimethoxyphenyl)ethenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide

N'-[1-(3,4-dimethoxyphenyl)ethenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide (PubChem CID 4230884) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N'-[1-(3,4-dimethoxyphenyl)ethenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(3,4-dimethoxyphenyl)ethenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
PubChem CID4230884
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN'-[1-(3,4-dimethoxyphenyl)ethenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
SMILESC=C(NNC(=O)c1n[nH]c2c1CCCC2)c1ccc(OC)c(OC)c1
InChIInChI=1S/C18H22N4O3/c1-11(12-8-9-15(24-2)16(10-12)25-3)19-22-18(23)17-13-6-4-5-7-14(13)20-21-17/h8-10,19H,1,4-7H2,2-3H3,(H,20,21)(H,22,23)
InChIKeySDOZPCSZQLSLQL-UHFFFAOYSA-N
XLogP2.21
TPSA88.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388851
N-[(3-ethoxy-4-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 46921220
N-[(4-butoxy-3-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112824285
N-[2-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110622743
N-[2-(4-methoxyphenoxy)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110415041
N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
CID 125432821
N-(3-benzamido-4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 46323290
N-[3-(2-methoxyphenyl)propyl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
CID 16677175
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 136661272
N'-(2-chloroacetyl)-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
CID 166414899
N'-[1-(4-cyanophenyl)ethenyl]-3,4-dimethoxybenzohydrazide
CID 2453941
N-[(2,3,4-trimethoxyphenyl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 4539174

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3,4-dimethoxyphenyl)ethenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide?
The IUPAC name of N'-[1-(3,4-dimethoxyphenyl)ethenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide (CID 4230884) is N'-[1-(3,4-dimethoxyphenyl)ethenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide.
What is the SMILES notation for N'-[1-(3,4-dimethoxyphenyl)ethenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide?
The canonical SMILES for N'-[1-(3,4-dimethoxyphenyl)ethenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide is C=C(NNC(=O)c1n[nH]c2c1CCCC2)c1ccc(OC)c(OC)c1.
What is the InChIKey of N'-[1-(3,4-dimethoxyphenyl)ethenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide?
The InChIKey is SDOZPCSZQLSLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-11(12-8-9-15(24-2)16(10-12)25-3)19-22-18(23)17-13-6-4-5-7-14(13)20-21-17/h8-10,19H,1,4-7H2,2-3H3,(H,20,21)(H,22,23).
What are the key properties of N'-[1-(3,4-dimethoxyphenyl)ethenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide?
N'-[1-(3,4-dimethoxyphenyl)ethenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide has a molecular weight of 342.40 g/mol, XLogP of 2.21, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3,4-dimethoxyphenyl)ethenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide is sourced from PubChem (CID 4230884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).