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

C19H23N5O2 — CID 19275127

IUPAC1-[(2,4-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
SMILESCCn1ccc(CNC(=O)c2ccn(COc3ccc(C)cc3C)n2)n1
InChIInChI=1S/C19H23N5O2/c1-4-23-9-7-16(21-23)12-20-19(25)17-8-10-24(22-17)13-26-18-6-5-14(2)11-15(18)3/h5-11H,4,12-13H2,1-3H3,(H,20,25)
InChIKeySLYXHQKIJMXLNB-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.68
Rot. Bonds7

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

1-[(2,4-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide (PubChem CID 19275127) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-[(2,4-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2,4-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
PubChem CID19275127
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name1-[(2,4-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
SMILESCCn1ccc(CNC(=O)c2ccn(COc3ccc(C)cc3C)n2)n1
InChIInChI=1S/C19H23N5O2/c1-4-23-9-7-16(21-23)12-20-19(25)17-8-10-24(22-17)13-26-18-6-5-14(2)11-15(18)3/h5-11H,4,12-13H2,1-3H3,(H,20,25)
InChIKeySLYXHQKIJMXLNB-UHFFFAOYSA-N
XLogP2.68
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2,4-dimethylphenoxy)methyl]-N-propylpyrazole-3-carboxamide
CID 19275041
1-[(4-bromo-2-chlorophenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19274844
1-[(2,4-dimethylphenoxy)methyl]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19275009
1-[(2,4-dimethylphenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19582495
N-[(1-ethylpyrazol-3-yl)methyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide
CID 19274122
1-[(2,4-dimethylphenoxy)methyl]-N-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 4776514
1-[(2,4-dimethylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide
CID 19275198
4-[[1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 19275180
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-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19278728
4-[[1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
CID 19275203
1-[(2,4-dimethylphenoxy)methyl]-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]pyrazole-3-carboxamide
CID 98273401

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[(2,4-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide (CID 19275127) is 1-[(2,4-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(2,4-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[(2,4-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide is CCn1ccc(CNC(=O)c2ccn(COc3ccc(C)cc3C)n2)n1.
What is the InChIKey of 1-[(2,4-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is SLYXHQKIJMXLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-4-23-9-7-16(21-23)12-20-19(25)17-8-10-24(22-17)13-26-18-6-5-14(2)11-15(18)3/h5-11H,4,12-13H2,1-3H3,(H,20,25).
What are the key properties of 1-[(2,4-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide?
1-[(2,4-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19275127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).