3-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide

C21H23N3O3 — CID 121088682

IUPAC3-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCCc3ccccc3OC)n(C)n2)c1
InChIInChI=1S/C21H23N3O3/c1-24-19(14-18(23-24)16-8-6-9-17(13-16)26-2)21(25)22-12-11-15-7-4-5-10-20(15)27-3/h4-10,13-14H,11-12H2,1-3H3,(H,22,25)
InChIKeyFYTPOVSXZLNNPE-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.08
Rot. Bonds7

About 3-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide

3-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide (PubChem CID 121088682) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide
PubChem CID121088682
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name3-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCCc3ccccc3OC)n(C)n2)c1
InChIInChI=1S/C21H23N3O3/c1-24-19(14-18(23-24)16-8-6-9-17(13-16)26-2)21(25)22-12-11-15-7-4-5-10-20(15)27-3/h4-10,13-14H,11-12H2,1-3H3,(H,22,25)
InChIKeyFYTPOVSXZLNNPE-UHFFFAOYSA-N
XLogP3.08
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 5021032
N-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 42758729
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 122293434
N-(2-fluorophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 42758735
3-(2,4-dimethoxyphenyl)-1-methyl-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 4567255
3-(3-methoxyphenyl)-1-methyl-N-[(4-phenylmethoxyphenyl)methyl]pyrazole-5-carboxamide
CID 121088744
N-(2-methoxyethyl)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 3359659
N-(4-acetamidophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121089505
3-(3-methoxyphenyl)-1-methyl-N-[(6-methylpyrimidin-4-yl)methyl]pyrazole-5-carboxamide
CID 122263527
3-(3-methoxyphenyl)-1-methyl-N,N-dipropylpyrazole-5-carboxamide
CID 42758721
3-(3-methoxyphenyl)-1-methyl-N-(2-methylsulfanylphenyl)pyrazole-5-carboxamide
CID 121088697
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-5-carboxamide
CID 4553947

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide (CID 121088682) is 3-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide is COc1cccc(-c2cc(C(=O)NCCc3ccccc3OC)n(C)n2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is FYTPOVSXZLNNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-24-19(14-18(23-24)16-8-6-9-17(13-16)26-2)21(25)22-12-11-15-7-4-5-10-20(15)27-3/h4-10,13-14H,11-12H2,1-3H3,(H,22,25).
What are the key properties of 3-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide?
3-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 121088682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).