(2-methylpyrazol-3-yl) 2-[(2,6-dimethoxyphenyl)methyl]-5-methylpyrazole-3-carboxylate

C18H20N4O4 — CID 143099907

IUPAC(2-methylpyrazol-3-yl) 2-[(2,6-dimethoxyphenyl)methyl]-5-methylpyrazole-3-carboxylate
SMILESCOc1cccc(OC)c1Cn1nc(C)cc1C(=O)Oc1ccnn1C
InChIInChI=1S/C18H20N4O4/c1-12-10-14(18(23)26-17-8-9-19-21(17)2)22(20-12)11-13-15(24-3)6-5-7-16(13)25-4/h5-10H,11H2,1-4H3
InChIKeyCOAAXOOHCVPBPD-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.21
Rot. Bonds6

About (2-methylpyrazol-3-yl) 2-[(2,6-dimethoxyphenyl)methyl]-5-methylpyrazole-3-carboxylate

(2-methylpyrazol-3-yl) 2-[(2,6-dimethoxyphenyl)methyl]-5-methylpyrazole-3-carboxylate (PubChem CID 143099907) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl) 2-[(2,6-dimethoxyphenyl)methyl]-5-methylpyrazole-3-carboxylate.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl) 2-[(2,6-dimethoxyphenyl)methyl]-5-methylpyrazole-3-carboxylate
PubChem CID143099907
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name(2-methylpyrazol-3-yl) 2-[(2,6-dimethoxyphenyl)methyl]-5-methylpyrazole-3-carboxylate
SMILESCOc1cccc(OC)c1Cn1nc(C)cc1C(=O)Oc1ccnn1C
InChIInChI=1S/C18H20N4O4/c1-12-10-14(18(23)26-17-8-9-19-21(17)2)22(20-12)11-13-15(24-3)6-5-7-16(13)25-4/h5-10H,11H2,1-4H3
InChIKeyCOAAXOOHCVPBPD-UHFFFAOYSA-N
XLogP2.21
TPSA80.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(2-bromo-6-methoxyphenyl) 2-methylpyrazole-3-carboxylate
CID 71968160
methyl 2-[(3-formyl-5-methylpyrazol-1-yl)methyl]-3-methoxybenzoate
CID 165460239
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2,6-dimethoxybenzamide
CID 35525595
N-(3-methoxyphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 19481236
N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 4620973
N-(2,5-dimethylpyrazol-3-yl)-2,3-dimethoxybenzamide
CID 35291192
4-(2-methoxybenzoyl)-2,6-dimethylpyridazin-3-one
CID 12988741
1-[(2-methoxyphenyl)methyl]-3,5-dimethylpyrazole
CID 63810139
ethyl 2-(2-methylpyrazol-3-yl)oxyacetate
CID 146256718
(2-methoxy-5-methylphenyl)-(2-methylpyrazol-3-yl)methanone
CID 114972656
N-[(2,3-dimethoxyphenyl)methyl]-N-ethyl-2-methylpyrazole-3-carboxamide
CID 131899641
1-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[5-methyl-2-[(3-methylphenyl)methyl]pyrazol-3-yl]urea
CID 97434451

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl) 2-[(2,6-dimethoxyphenyl)methyl]-5-methylpyrazole-3-carboxylate?
The IUPAC name of (2-methylpyrazol-3-yl) 2-[(2,6-dimethoxyphenyl)methyl]-5-methylpyrazole-3-carboxylate (CID 143099907) is (2-methylpyrazol-3-yl) 2-[(2,6-dimethoxyphenyl)methyl]-5-methylpyrazole-3-carboxylate.
What is the SMILES notation for (2-methylpyrazol-3-yl) 2-[(2,6-dimethoxyphenyl)methyl]-5-methylpyrazole-3-carboxylate?
The canonical SMILES for (2-methylpyrazol-3-yl) 2-[(2,6-dimethoxyphenyl)methyl]-5-methylpyrazole-3-carboxylate is COc1cccc(OC)c1Cn1nc(C)cc1C(=O)Oc1ccnn1C.
What is the InChIKey of (2-methylpyrazol-3-yl) 2-[(2,6-dimethoxyphenyl)methyl]-5-methylpyrazole-3-carboxylate?
The InChIKey is COAAXOOHCVPBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-12-10-14(18(23)26-17-8-9-19-21(17)2)22(20-12)11-13-15(24-3)6-5-7-16(13)25-4/h5-10H,11H2,1-4H3.
What are the key properties of (2-methylpyrazol-3-yl) 2-[(2,6-dimethoxyphenyl)methyl]-5-methylpyrazole-3-carboxylate?
(2-methylpyrazol-3-yl) 2-[(2,6-dimethoxyphenyl)methyl]-5-methylpyrazole-3-carboxylate has a molecular weight of 356.38 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl) 2-[(2,6-dimethoxyphenyl)methyl]-5-methylpyrazole-3-carboxylate is sourced from PubChem (CID 143099907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).