1-[(2,4-dimethylphenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide

C19H23N5O2 — CID 19278731

IUPAC1-[(2,4-dimethylphenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
SMILESCc1ccc(OCn2ccc(C(=O)N(C)Cc3cnn(C)c3)n2)c(C)c1
InChIInChI=1S/C19H23N5O2/c1-14-5-6-18(15(2)9-14)26-13-24-8-7-17(21-24)19(25)22(3)11-16-10-20-23(4)12-16/h5-10,12H,11,13H2,1-4H3
InChIKeyPMHQVESOGRTEFJ-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.54
Rot. Bonds6

About 1-[(2,4-dimethylphenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide

1-[(2,4-dimethylphenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide (PubChem CID 19278731) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-[(2,4-dimethylphenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2,4-dimethylphenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
PubChem CID19278731
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name1-[(2,4-dimethylphenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
SMILESCc1ccc(OCn2ccc(C(=O)N(C)Cc3cnn(C)c3)n2)c(C)c1
InChIInChI=1S/C19H23N5O2/c1-14-5-6-18(15(2)9-14)26-13-24-8-7-17(21-24)19(25)22(3)11-16-10-20-23(4)12-16/h5-10,12H,11,13H2,1-4H3
InChIKeyPMHQVESOGRTEFJ-UHFFFAOYSA-N
XLogP2.54
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2,4-dimethylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19278728
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19278925
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19278361
3-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19623624
1-[(2,4-dichlorophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19278577
1-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19278880
1-[(2,4-dimethylphenoxy)methyl]-N-propylpyrazole-3-carboxamide
CID 19275041
1-[(2,4-dimethylphenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19582495
1-[(2,4-dimethylphenoxy)methyl]-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19275205
1-[(2,4-dimethylphenoxy)methyl]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19275009
2-(2,5-dimethylphenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 134037059
1-[(2,4-difluorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19279936

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethylphenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[(2,4-dimethylphenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide (CID 19278731) is 1-[(2,4-dimethylphenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(2,4-dimethylphenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[(2,4-dimethylphenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide is Cc1ccc(OCn2ccc(C(=O)N(C)Cc3cnn(C)c3)n2)c(C)c1.
What is the InChIKey of 1-[(2,4-dimethylphenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is PMHQVESOGRTEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-14-5-6-18(15(2)9-14)26-13-24-8-7-17(21-24)19(25)22(3)11-16-10-20-23(4)12-16/h5-10,12H,11,13H2,1-4H3.
What are the key properties of 1-[(2,4-dimethylphenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide?
1-[(2,4-dimethylphenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethylphenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19278731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).