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

C16H21N3O2 — CID 110336742

IUPAC5-(2-methoxy-5-methylphenyl)-1-methyl-N-propylpyrazole-3-carboxamide
SMILESCCCNC(=O)c1cc(-c2cc(C)ccc2OC)n(C)n1
InChIInChI=1S/C16H21N3O2/c1-5-8-17-16(20)13-10-14(19(3)18-13)12-9-11(2)6-7-15(12)21-4/h6-7,9-10H,5,8H2,1-4H3,(H,17,20)
InChIKeyPIHGBTUBNRLCKR-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.54
Rot. Bonds5

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

5-(2-methoxy-5-methylphenyl)-1-methyl-N-propylpyrazole-3-carboxamide (PubChem CID 110336742) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-(2-methoxy-5-methylphenyl)-1-methyl-N-propylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-methoxy-5-methylphenyl)-1-methyl-N-propylpyrazole-3-carboxamide
PubChem CID110336742
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name5-(2-methoxy-5-methylphenyl)-1-methyl-N-propylpyrazole-3-carboxamide
SMILESCCCNC(=O)c1cc(-c2cc(C)ccc2OC)n(C)n1
InChIInChI=1S/C16H21N3O2/c1-5-8-17-16(20)13-10-14(19(3)18-13)12-9-11(2)6-7-15(12)21-4/h6-7,9-10H,5,8H2,1-4H3,(H,17,20)
InChIKeyPIHGBTUBNRLCKR-UHFFFAOYSA-N
XLogP2.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methoxy-5-methylphenyl)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 110336747
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
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
2-[5-(2-methoxy-5-methylphenyl)-1-methylpyrazol-3-yl]acetic acid
CID 82484421
5-(2,5-dimethylphenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110336452
4-[5-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carbonyl]piperazine-1-carbaldehyde
CID 110336762
5-(5-chlorothiophen-2-yl)-1-methyl-N-propylpyrazole-3-carboxamide
CID 110336625
ethyl 5-(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 118562617
1-[(2,4-dimethylphenoxy)methyl]-N-propylpyrazole-3-carboxamide
CID 19275041

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-5-methylphenyl)-1-methyl-N-propylpyrazole-3-carboxamide?
The IUPAC name of 5-(2-methoxy-5-methylphenyl)-1-methyl-N-propylpyrazole-3-carboxamide (CID 110336742) is 5-(2-methoxy-5-methylphenyl)-1-methyl-N-propylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(2-methoxy-5-methylphenyl)-1-methyl-N-propylpyrazole-3-carboxamide?
The canonical SMILES for 5-(2-methoxy-5-methylphenyl)-1-methyl-N-propylpyrazole-3-carboxamide is CCCNC(=O)c1cc(-c2cc(C)ccc2OC)n(C)n1.
What is the InChIKey of 5-(2-methoxy-5-methylphenyl)-1-methyl-N-propylpyrazole-3-carboxamide?
The InChIKey is PIHGBTUBNRLCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-5-8-17-16(20)13-10-14(19(3)18-13)12-9-11(2)6-7-15(12)21-4/h6-7,9-10H,5,8H2,1-4H3,(H,17,20).
What are the key properties of 5-(2-methoxy-5-methylphenyl)-1-methyl-N-propylpyrazole-3-carboxamide?
5-(2-methoxy-5-methylphenyl)-1-methyl-N-propylpyrazole-3-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.54, 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-propylpyrazole-3-carboxamide is sourced from PubChem (CID 110336742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).