N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide

C20H21N3O4 — CID 51126779

IUPACN-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide
SMILESCOc1cccc(Cn2nccc2NC(=O)C2CC2c2ccco2)c1OC
InChIInChI=1S/C20H21N3O4/c1-25-17-6-3-5-13(19(17)26-2)12-23-18(8-9-21-23)22-20(24)15-11-14(15)16-7-4-10-27-16/h3-10,14-15H,11-12H2,1-2H3,(H,22,24)
InChIKeyOYGZLDSQNVQDFE-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.28
Rot. Bonds7

About N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide

N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide (PubChem CID 51126779) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide
PubChem CID51126779
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide
SMILESCOc1cccc(Cn2nccc2NC(=O)C2CC2c2ccco2)c1OC
InChIInChI=1S/C20H21N3O4/c1-25-17-6-3-5-13(19(17)26-2)12-23-18(8-9-21-23)22-20(24)15-11-14(15)16-7-4-10-27-16/h3-10,14-15H,11-12H2,1-2H3,(H,22,24)
InChIKeyOYGZLDSQNVQDFE-UHFFFAOYSA-N
XLogP3.28
TPSA78.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-chlorophenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]cyclopropane-1-carboxamide
CID 55478059
2-cyclopentyl-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 51248440
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide
CID 51248422
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(2-ethylphenoxy)acetamide
CID 51248455
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide
CID 78820639
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3,4,5-triethoxybenzamide
CID 55435038
2-(2,4-dimethoxyphenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 55434840
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(3-fluorophenyl)acetamide
CID 51248461
1-[[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122090603
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-4-phenoxybenzamide
CID 52523207
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 55462668
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-ethoxypyridine-3-carboxamide
CID 26470200

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide (CID 51126779) is N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide is COc1cccc(Cn2nccc2NC(=O)C2CC2c2ccco2)c1OC.
What is the InChIKey of N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is OYGZLDSQNVQDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-25-17-6-3-5-13(19(17)26-2)12-23-18(8-9-21-23)22-20(24)15-11-14(15)16-7-4-10-27-16/h3-10,14-15H,11-12H2,1-2H3,(H,22,24).
What are the key properties of N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 51126779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).