(1-benzylpyrazol-4-yl)methyl 5-methoxy-1,3-dimethylpyrazole-4-carboxylate

C18H20N4O3 — CID 75420545

IUPAC(1-benzylpyrazol-4-yl)methyl 5-methoxy-1,3-dimethylpyrazole-4-carboxylate
SMILESCOc1c(C(=O)OCc2cnn(Cc3ccccc3)c2)c(C)nn1C
InChIInChI=1S/C18H20N4O3/c1-13-16(17(24-3)21(2)20-13)18(23)25-12-15-9-19-22(11-15)10-14-7-5-4-6-8-14/h4-9,11H,10,12H2,1-3H3
InChIKeyBSINMQODLZAYKA-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.34
Rot. Bonds6

About (1-benzylpyrazol-4-yl)methyl 5-methoxy-1,3-dimethylpyrazole-4-carboxylate

(1-benzylpyrazol-4-yl)methyl 5-methoxy-1,3-dimethylpyrazole-4-carboxylate (PubChem CID 75420545) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is (1-benzylpyrazol-4-yl)methyl 5-methoxy-1,3-dimethylpyrazole-4-carboxylate.

Molecular Properties

Compound Name(1-benzylpyrazol-4-yl)methyl 5-methoxy-1,3-dimethylpyrazole-4-carboxylate
PubChem CID75420545
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name(1-benzylpyrazol-4-yl)methyl 5-methoxy-1,3-dimethylpyrazole-4-carboxylate
SMILESCOc1c(C(=O)OCc2cnn(Cc3ccccc3)c2)c(C)nn1C
InChIInChI=1S/C18H20N4O3/c1-13-16(17(24-3)21(2)20-13)18(23)25-12-15-9-19-22(11-15)10-14-7-5-4-6-8-14/h4-9,11H,10,12H2,1-3H3
InChIKeyBSINMQODLZAYKA-UHFFFAOYSA-N
XLogP2.34
TPSA71.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1-benzylpyrazol-4-yl)methyl 5-methoxy-1,3-dimethylpyrazole-4-carboxylate?
The IUPAC name of (1-benzylpyrazol-4-yl)methyl 5-methoxy-1,3-dimethylpyrazole-4-carboxylate (CID 75420545) is (1-benzylpyrazol-4-yl)methyl 5-methoxy-1,3-dimethylpyrazole-4-carboxylate.
What is the SMILES notation for (1-benzylpyrazol-4-yl)methyl 5-methoxy-1,3-dimethylpyrazole-4-carboxylate?
The canonical SMILES for (1-benzylpyrazol-4-yl)methyl 5-methoxy-1,3-dimethylpyrazole-4-carboxylate is COc1c(C(=O)OCc2cnn(Cc3ccccc3)c2)c(C)nn1C.
What is the InChIKey of (1-benzylpyrazol-4-yl)methyl 5-methoxy-1,3-dimethylpyrazole-4-carboxylate?
The InChIKey is BSINMQODLZAYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-13-16(17(24-3)21(2)20-13)18(23)25-12-15-9-19-22(11-15)10-14-7-5-4-6-8-14/h4-9,11H,10,12H2,1-3H3.
What are the key properties of (1-benzylpyrazol-4-yl)methyl 5-methoxy-1,3-dimethylpyrazole-4-carboxylate?
(1-benzylpyrazol-4-yl)methyl 5-methoxy-1,3-dimethylpyrazole-4-carboxylate has a molecular weight of 340.38 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpyrazol-4-yl)methyl 5-methoxy-1,3-dimethylpyrazole-4-carboxylate is sourced from PubChem (CID 75420545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).