1-(3,4-dimethoxyphenyl)-N-(1H-indazol-6-yl)cyclopropane-1-carboxamide

C19H19N3O3 — CID 110438991

IUPAC1-(3,4-dimethoxyphenyl)-N-(1H-indazol-6-yl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3ccc4cn[nH]c4c3)CC2)cc1OC
InChIInChI=1S/C19H19N3O3/c1-24-16-6-4-13(9-17(16)25-2)19(7-8-19)18(23)21-14-5-3-12-11-20-22-15(12)10-14/h3-6,9-11H,7-8H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyUNUYUUOLJCOJFO-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.25
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-N-(1H-indazol-6-yl)cyclopropane-1-carboxamide

1-(3,4-dimethoxyphenyl)-N-(1H-indazol-6-yl)cyclopropane-1-carboxamide (PubChem CID 110438991) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-(1H-indazol-6-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-(1H-indazol-6-yl)cyclopropane-1-carboxamide
PubChem CID110438991
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name1-(3,4-dimethoxyphenyl)-N-(1H-indazol-6-yl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3ccc4cn[nH]c4c3)CC2)cc1OC
InChIInChI=1S/C19H19N3O3/c1-24-16-6-4-13(9-17(16)25-2)19(7-8-19)18(23)21-14-5-3-12-11-20-22-15(12)10-14/h3-6,9-11H,7-8H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyUNUYUUOLJCOJFO-UHFFFAOYSA-N
XLogP3.25
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-indazol-6-yl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 110438934
N-(4-acetylphenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 110438984
N-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 1329491
N-(1H-indazol-6-yl)-2,6-dimethoxybenzamide
CID 110731190
1-(3,4-dimethoxyphenyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclopropane-1-carboxamide
CID 90958377
N-(1H-indazol-6-yl)-2-(2-methoxyphenyl)acetamide
CID 36559497
1-(1H-indazol-6-yl)-3-(4-methoxyphenyl)urea
CID 108866360
3-fluoro-N-(1H-indazol-6-yl)-4-methoxybenzamide
CID 36561598
1-amino-N-(1H-indazol-6-yl)cyclohexane-1-carboxamide
CID 43710790
1-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 1234744
N-(1H-indazol-6-yl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide
CID 110768017
1-(5-chloro-2-methoxyphenyl)-3-(1H-indazol-6-yl)urea
CID 108875557

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(1H-indazol-6-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(1H-indazol-6-yl)cyclopropane-1-carboxamide (CID 110438991) is 1-(3,4-dimethoxyphenyl)-N-(1H-indazol-6-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-(1H-indazol-6-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-(1H-indazol-6-yl)cyclopropane-1-carboxamide is COc1ccc(C2(C(=O)Nc3ccc4cn[nH]c4c3)CC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-(1H-indazol-6-yl)cyclopropane-1-carboxamide?
The InChIKey is UNUYUUOLJCOJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-24-16-6-4-13(9-17(16)25-2)19(7-8-19)18(23)21-14-5-3-12-11-20-22-15(12)10-14/h3-6,9-11H,7-8H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-(1H-indazol-6-yl)cyclopropane-1-carboxamide?
1-(3,4-dimethoxyphenyl)-N-(1H-indazol-6-yl)cyclopropane-1-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-(1H-indazol-6-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 110438991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).