1-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide

C21H27N5O2 — CID 19278880

IUPAC1-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
SMILESCCn1ncc(CN(C)C(=O)c2ccn(COc3cc(C)ccc3C)n2)c1C
InChIInChI=1S/C21H27N5O2/c1-6-26-17(4)18(12-22-26)13-24(5)21(27)19-9-10-25(23-19)14-28-20-11-15(2)7-8-16(20)3/h7-12H,6,13-14H2,1-5H3
InChIKeyBKJRGBUBLZBGAK-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.33
Rot. Bonds7

About 1-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide

1-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide (PubChem CID 19278880) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
PubChem CID19278880
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name1-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
SMILESCCn1ncc(CN(C)C(=O)c2ccn(COc3cc(C)ccc3C)n2)c1C
InChIInChI=1S/C21H27N5O2/c1-6-26-17(4)18(12-22-26)13-24(5)21(27)19-9-10-25(23-19)14-28-20-11-15(2)7-8-16(20)3/h7-12H,6,13-14H2,1-5H3
InChIKeyBKJRGBUBLZBGAK-UHFFFAOYSA-N
XLogP3.33
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-[(4-fluorophenoxy)methyl]-N-methylpyrazole-3-carboxamide
CID 19278511
1-[(2,4-dimethylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19278728
4-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylthiophene-2-carboxamide
CID 19471628
4-[[1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
CID 19273003
1-[(2-chlorophenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19278333
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-[(4-chloro-3-methylphenoxy)methyl]-N-methylpyrazole-3-carboxamide
CID 19278680
1-[(2,4-dimethylphenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19278731
1-[(2,5-dimethylphenoxy)methyl]-N-(3-ethoxypropyl)pyrazole-3-carboxamide
CID 19272997
1-[(2-bromo-4-chlorophenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19278682
1-[(3,5-dimethylphenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19278825
1-[(2-bromo-4-chlorophenoxy)methyl]-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19278699
4-[[1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
CID 19275203

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide (CID 19278880) is 1-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide is CCn1ncc(CN(C)C(=O)c2ccn(COc3cc(C)ccc3C)n2)c1C.
What is the InChIKey of 1-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide?
The InChIKey is BKJRGBUBLZBGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-6-26-17(4)18(12-22-26)13-24(5)21(27)19-9-10-25(23-19)14-28-20-11-15(2)7-8-16(20)3/h7-12H,6,13-14H2,1-5H3.
What are the key properties of 1-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide?
1-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19278880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).