3-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-methylpyrazole-4-carboxamide

C16H21N3O3 — CID 71810469

IUPAC3-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCC(OC)c1ccccc1C
InChIInChI=1S/C16H21N3O3/c1-11-7-5-6-8-12(11)14(21-3)9-17-15(20)13-10-19(2)18-16(13)22-4/h5-8,10,14H,9H2,1-4H3,(H,17,20)
InChIKeyWOLNFCPDLXXYJB-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.85
Rot. Bonds6

About 3-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-methylpyrazole-4-carboxamide

3-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-methylpyrazole-4-carboxamide (PubChem CID 71810469) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-methylpyrazole-4-carboxamide
PubChem CID71810469
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name3-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCC(OC)c1ccccc1C
InChIInChI=1S/C16H21N3O3/c1-11-7-5-6-8-12(11)14(21-3)9-17-15(20)13-10-19(2)18-16(13)22-4/h5-8,10,14H,9H2,1-4H3,(H,17,20)
InChIKeyWOLNFCPDLXXYJB-UHFFFAOYSA-N
XLogP1.85
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-(oxolan-2-ylmethyl)-3-[3-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide
CID 76319631
3-(benzyloxy)-N-ethyl-1-methyl-N-propyl-1H-pyrazole-4-carboxamide
CID 76330442
(1-benzyl-3-(benzyloxy)-1H-pyrazol-4-yl)(morpholino)methanone
CID 16925608
1-(4-fluorobenzyl)-3-((4-fluorobenzyl)oxy)-N-((tetrahydrofuran-2-yl)methyl)-1H-pyrazole-4-carboxamide
CID 16925749
N-cyclopentyl-1-(3-fluorobenzyl)-3-((3-fluorobenzyl)oxy)-1H-pyrazole-4-carboxamide
CID 16925852
N-{[1-(4-fluorophenyl)cyclopropyl]methyl}-3-methoxy-1-methyl-1H-pyrazole-4-carboxamide
CID 45560945
N-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}-3-methoxy-1-methyl-1H-pyrazole-4-carboxamide
CID 56765434
N-[(2-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-3-methoxy-1-methyl-1H-pyrazole-4-carboxamide
CID 71803547
N-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethylpyrazole-4-carboxamide
CID 71993878
N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-methoxy-1-methyl-1H-pyrazole-4-carboxamide
CID 90599086
N-ethyl-3-[(3-fluorophenyl)methoxy]-1-methyl-N-propylpyrazole-4-carboxamide
CID 76308645
N-ethyl-1-methyl-3-[(4-methylphenyl)methoxy]-N-propylpyrazole-4-carboxamide
CID 76312337

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-methylpyrazole-4-carboxamide (CID 71810469) is 3-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-methylpyrazole-4-carboxamide is COc1nn(C)cc1C(=O)NCC(OC)c1ccccc1C.
What is the InChIKey of 3-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is WOLNFCPDLXXYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-11-7-5-6-8-12(11)14(21-3)9-17-15(20)13-10-19(2)18-16(13)22-4/h5-8,10,14H,9H2,1-4H3,(H,17,20).
What are the key properties of 3-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-methylpyrazole-4-carboxamide?
3-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 71810469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).