1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide

C17H23N7O — CID 19278608

IUPAC1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide
SMILESCCn1nccc1CN(C)C(=O)c1ccn(Cn2nc(C)cc2C)n1
InChIInChI=1S/C17H23N7O/c1-5-23-15(6-8-18-23)11-21(4)17(25)16-7-9-22(20-16)12-24-14(3)10-13(2)19-24/h6-10H,5,11-12H2,1-4H3
InChIKeyJSKKQPMQBQOEPD-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.69
Rot. Bonds6

About 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide

1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide (PubChem CID 19278608) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide
PubChem CID19278608
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide
SMILESCCn1nccc1CN(C)C(=O)c1ccn(Cn2nc(C)cc2C)n1
InChIInChI=1S/C17H23N7O/c1-5-23-15(6-8-18-23)11-21(4)17(25)16-7-9-22(20-16)12-24-14(3)10-13(2)19-24/h6-10H,5,11-12H2,1-4H3
InChIKeyJSKKQPMQBQOEPD-UHFFFAOYSA-N
XLogP1.69
TPSA73.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(3,5-dimethylphenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19278825
N-[(2-ethylpyrazol-3-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide
CID 19278025
1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19278595
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19454310
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19278304
1-[2-[(2-ethylpyrazol-3-yl)methyl-methylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19624221
methyl 1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carboxylate
CID 102533991
1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19278434
methyl 2-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]acetate
CID 19270589
1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-N,3-dimethylpyrazole-4-carboxamide
CID 19477847
1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide
CID 19270518
1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-ethoxypropyl)pyrazole-3-carboxamide
CID 19270685

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide (CID 19278608) is 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide is CCn1nccc1CN(C)C(=O)c1ccn(Cn2nc(C)cc2C)n1.
What is the InChIKey of 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide?
The InChIKey is JSKKQPMQBQOEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-5-23-15(6-8-18-23)11-21(4)17(25)16-7-9-22(20-16)12-24-14(3)10-13(2)19-24/h6-10H,5,11-12H2,1-4H3.
What are the key properties of 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide?
1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.69, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19278608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).