methyl 1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carboxylate

C11H14N4O2 — CID 102533991

IUPACmethyl 1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carboxylate
SMILESCOC(=O)c1ccn(Cn2nc(C)cc2C)n1
InChIInChI=1S/C11H14N4O2/c1-8-6-9(2)15(12-8)7-14-5-4-10(13-14)11(16)17-3/h4-6H,7H2,1-3H3
InChIKeyPJKIIXXVDHGNBU-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.99
Rot. Bonds3

About methyl 1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carboxylate

methyl 1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carboxylate (PubChem CID 102533991) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is methyl 1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carboxylate
PubChem CID102533991
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Namemethyl 1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carboxylate
SMILESCOC(=O)c1ccn(Cn2nc(C)cc2C)n1
InChIInChI=1S/C11H14N4O2/c1-8-6-9(2)15(12-8)7-14-5-4-10(13-14)11(16)17-3/h4-6H,7H2,1-3H3
InChIKeyPJKIIXXVDHGNBU-UHFFFAOYSA-N
XLogP0.99
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]acetate
CID 19270589
1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide
CID 19270518
N-(2,5-dimethylphenyl)-1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carboxamide
CID 19270525
1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-ethoxypropyl)pyrazole-3-carboxamide
CID 19270685
1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-phenylpropyl)pyrazole-3-carboxamide
CID 19270512
methyl 1-propylpyrazole-3-carboxylate
CID 25247474
1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19278595
1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19278608
1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 19270593
1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide
CID 19270531
N-(4-chloro-2-nitrophenyl)-1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carboxamide
CID 19270474
methyl 1-[[4-chloro-3,5-bis(3,4-dimethylphenyl)pyrazol-1-yl]methyl]pyrazole-3-carboxylate
CID 19586972

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carboxylate?
The IUPAC name of methyl 1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carboxylate (CID 102533991) is methyl 1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carboxylate.
What is the SMILES notation for methyl 1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carboxylate?
The canonical SMILES for methyl 1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carboxylate is COC(=O)c1ccn(Cn2nc(C)cc2C)n1.
What is the InChIKey of methyl 1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carboxylate?
The InChIKey is PJKIIXXVDHGNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-8-6-9(2)15(12-8)7-14-5-4-10(13-14)11(16)17-3/h4-6H,7H2,1-3H3.
What are the key properties of methyl 1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carboxylate?
methyl 1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carboxylate has a molecular weight of 234.26 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carboxylate is sourced from PubChem (CID 102533991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).