(4-pyrazol-1-ylphenyl)methyl 1-methylpyrazole-4-carboxylate

C15H14N4O2 — CID 40767413

IUPAC(4-pyrazol-1-ylphenyl)methyl 1-methylpyrazole-4-carboxylate
SMILESCn1cc(C(=O)OCc2ccc(-n3cccn3)cc2)cn1
InChIInChI=1S/C15H14N4O2/c1-18-10-13(9-17-18)15(20)21-11-12-3-5-14(6-4-12)19-8-2-7-16-19/h2-10H,11H2,1H3
InChIKeyUTRFFYDURYDCGZ-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.96
Rot. Bonds4

About (4-pyrazol-1-ylphenyl)methyl 1-methylpyrazole-4-carboxylate

(4-pyrazol-1-ylphenyl)methyl 1-methylpyrazole-4-carboxylate (PubChem CID 40767413) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is (4-pyrazol-1-ylphenyl)methyl 1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Name(4-pyrazol-1-ylphenyl)methyl 1-methylpyrazole-4-carboxylate
PubChem CID40767413
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name(4-pyrazol-1-ylphenyl)methyl 1-methylpyrazole-4-carboxylate
SMILESCn1cc(C(=O)OCc2ccc(-n3cccn3)cc2)cn1
InChIInChI=1S/C15H14N4O2/c1-18-10-13(9-17-18)15(20)21-11-12-3-5-14(6-4-12)19-8-2-7-16-19/h2-10H,11H2,1H3
InChIKeyUTRFFYDURYDCGZ-UHFFFAOYSA-N
XLogP1.96
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-pyrazol-1-ylphenyl)methyl 1-methylpyrazole-4-carboxylate?
The IUPAC name of (4-pyrazol-1-ylphenyl)methyl 1-methylpyrazole-4-carboxylate (CID 40767413) is (4-pyrazol-1-ylphenyl)methyl 1-methylpyrazole-4-carboxylate.
What is the SMILES notation for (4-pyrazol-1-ylphenyl)methyl 1-methylpyrazole-4-carboxylate?
The canonical SMILES for (4-pyrazol-1-ylphenyl)methyl 1-methylpyrazole-4-carboxylate is Cn1cc(C(=O)OCc2ccc(-n3cccn3)cc2)cn1.
What is the InChIKey of (4-pyrazol-1-ylphenyl)methyl 1-methylpyrazole-4-carboxylate?
The InChIKey is UTRFFYDURYDCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-18-10-13(9-17-18)15(20)21-11-12-3-5-14(6-4-12)19-8-2-7-16-19/h2-10H,11H2,1H3.
What are the key properties of (4-pyrazol-1-ylphenyl)methyl 1-methylpyrazole-4-carboxylate?
(4-pyrazol-1-ylphenyl)methyl 1-methylpyrazole-4-carboxylate has a molecular weight of 282.30 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrazol-1-ylphenyl)methyl 1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 40767413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).