5-(2-methoxy-5-methylphenyl)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide

C17H23N3O2 — CID 110336747

IUPAC5-(2-methoxy-5-methylphenyl)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide
SMILESCOc1ccc(C)cc1-c1cc(C(=O)NCC(C)C)nn1C
InChIInChI=1S/C17H23N3O2/c1-11(2)10-18-17(21)14-9-15(20(4)19-14)13-8-12(3)6-7-16(13)22-5/h6-9,11H,10H2,1-5H3,(H,18,21)
InChIKeyGOPRBMCTCUMDGV-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.79
Rot. Bonds5

About 5-(2-methoxy-5-methylphenyl)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide

5-(2-methoxy-5-methylphenyl)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide (PubChem CID 110336747) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 5-(2-methoxy-5-methylphenyl)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-methoxy-5-methylphenyl)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide
PubChem CID110336747
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name5-(2-methoxy-5-methylphenyl)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide
SMILESCOc1ccc(C)cc1-c1cc(C(=O)NCC(C)C)nn1C
InChIInChI=1S/C17H23N3O2/c1-11(2)10-18-17(21)14-9-15(20(4)19-14)13-8-12(3)6-7-16(13)22-5/h6-9,11H,10H2,1-5H3,(H,18,21)
InChIKeyGOPRBMCTCUMDGV-UHFFFAOYSA-N
XLogP2.79
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methoxy-5-methylphenyl)-1-methyl-N-propylpyrazole-3-carboxamide
CID 110336742
5-(2-methoxy-5-methylphenyl)-1-methyl-N-prop-2-enylpyrazole-3-carboxamide
CID 110336745
5-(2-methoxy-5-methylphenyl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 110336758
5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 46105032
N-(2,4-dimethoxyphenyl)-5-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 110336792
5-(2-methoxy-5-methylphenyl)-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336789
N-(2-cyanophenyl)-5-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 90271392
4-[5-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carbonyl]piperazine-1-carbaldehyde
CID 110336762
2-[5-(2-methoxy-5-methylphenyl)-1-methylpyrazol-3-yl]acetic acid
CID 82484421
[5-(2-methoxy-5-methylphenyl)-1-methylpyrazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110336780
1-[(2,4-dimethylphenoxy)methyl]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19275009
5-(2,5-dimethylphenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110336452

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-5-methylphenyl)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide?
The IUPAC name of 5-(2-methoxy-5-methylphenyl)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide (CID 110336747) is 5-(2-methoxy-5-methylphenyl)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(2-methoxy-5-methylphenyl)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(2-methoxy-5-methylphenyl)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide is COc1ccc(C)cc1-c1cc(C(=O)NCC(C)C)nn1C.
What is the InChIKey of 5-(2-methoxy-5-methylphenyl)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide?
The InChIKey is GOPRBMCTCUMDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-11(2)10-18-17(21)14-9-15(20(4)19-14)13-8-12(3)6-7-16(13)22-5/h6-9,11H,10H2,1-5H3,(H,18,21).
What are the key properties of 5-(2-methoxy-5-methylphenyl)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide?
5-(2-methoxy-5-methylphenyl)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-5-methylphenyl)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 110336747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).