1-[(2,4-dimethylphenoxy)methyl]-N-propylpyrazole-3-carboxamide

C16H21N3O2 — CID 19275041

IUPAC1-[(2,4-dimethylphenoxy)methyl]-N-propylpyrazole-3-carboxamide
SMILESCCCNC(=O)c1ccn(COc2ccc(C)cc2C)n1
InChIInChI=1S/C16H21N3O2/c1-4-8-17-16(20)14-7-9-19(18-14)11-21-15-6-5-12(2)10-13(15)3/h5-7,9-10H,4,8,11H2,1-3H3,(H,17,20)
InChIKeyXVFREYGXIQUVOL-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.68
Rot. Bonds6

About 1-[(2,4-dimethylphenoxy)methyl]-N-propylpyrazole-3-carboxamide

1-[(2,4-dimethylphenoxy)methyl]-N-propylpyrazole-3-carboxamide (PubChem CID 19275041) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[(2,4-dimethylphenoxy)methyl]-N-propylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2,4-dimethylphenoxy)methyl]-N-propylpyrazole-3-carboxamide
PubChem CID19275041
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-[(2,4-dimethylphenoxy)methyl]-N-propylpyrazole-3-carboxamide
SMILESCCCNC(=O)c1ccn(COc2ccc(C)cc2C)n1
InChIInChI=1S/C16H21N3O2/c1-4-8-17-16(20)14-7-9-19(18-14)11-21-15-6-5-12(2)10-13(15)3/h5-7,9-10H,4,8,11H2,1-3H3,(H,17,20)
InChIKeyXVFREYGXIQUVOL-UHFFFAOYSA-N
XLogP2.68
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,4-dimethylphenoxy)methyl]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19275009
1-[(2,4-dimethylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide
CID 19275198
1-[(2,4-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19275127
1-[(2,5-dimethylphenoxy)methyl]-N-(3-ethoxypropyl)pyrazole-3-carboxamide
CID 19272997
1-[(2,4-dimethylphenoxy)methyl]-N-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 4776514
1-[(2,4-dimethylphenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19582495
N-(cyclopropylmethyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
CID 95756234
1-[(2,4-dimethylphenoxy)methyl]-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]pyrazole-3-carboxamide
CID 98273401
4-[[1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 19275180
4-[[1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
CID 19275203
1-[(2,5-dimethylphenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide
CID 19272925
N-(1-benzyl-1,2,4-triazol-3-yl)-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide
CID 19275138

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethylphenoxy)methyl]-N-propylpyrazole-3-carboxamide?
The IUPAC name of 1-[(2,4-dimethylphenoxy)methyl]-N-propylpyrazole-3-carboxamide (CID 19275041) is 1-[(2,4-dimethylphenoxy)methyl]-N-propylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[(2,4-dimethylphenoxy)methyl]-N-propylpyrazole-3-carboxamide?
The canonical SMILES for 1-[(2,4-dimethylphenoxy)methyl]-N-propylpyrazole-3-carboxamide is CCCNC(=O)c1ccn(COc2ccc(C)cc2C)n1.
What is the InChIKey of 1-[(2,4-dimethylphenoxy)methyl]-N-propylpyrazole-3-carboxamide?
The InChIKey is XVFREYGXIQUVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-8-17-16(20)14-7-9-19(18-14)11-21-15-6-5-12(2)10-13(15)3/h5-7,9-10H,4,8,11H2,1-3H3,(H,17,20).
What are the key properties of 1-[(2,4-dimethylphenoxy)methyl]-N-propylpyrazole-3-carboxamide?
1-[(2,4-dimethylphenoxy)methyl]-N-propylpyrazole-3-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethylphenoxy)methyl]-N-propylpyrazole-3-carboxamide is sourced from PubChem (CID 19275041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).