benzyl pyrazole-1-carboxylate

C11H10N2O2 — CID 15371419

IUPACbenzyl pyrazole-1-carboxylate
SMILESO=C(OCc1ccccc1)n1cccn1
InChIInChI=1S/C11H10N2O2/c14-11(13-8-4-7-12-13)15-9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyVCOVXPNYFAUGFN-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.07
Rot. Bonds2

About benzyl pyrazole-1-carboxylate

benzyl pyrazole-1-carboxylate (PubChem CID 15371419) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is benzyl pyrazole-1-carboxylate.

Molecular Properties

Compound Namebenzyl pyrazole-1-carboxylate
PubChem CID15371419
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Namebenzyl pyrazole-1-carboxylate
SMILESO=C(OCc1ccccc1)n1cccn1
InChIInChI=1S/C11H10N2O2/c14-11(13-8-4-7-12-13)15-9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyVCOVXPNYFAUGFN-UHFFFAOYSA-N
XLogP2.07
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl pyrazole-1-carboxylate?
The IUPAC name of benzyl pyrazole-1-carboxylate (CID 15371419) is benzyl pyrazole-1-carboxylate.
What is the SMILES notation for benzyl pyrazole-1-carboxylate?
The canonical SMILES for benzyl pyrazole-1-carboxylate is O=C(OCc1ccccc1)n1cccn1.
What is the InChIKey of benzyl pyrazole-1-carboxylate?
The InChIKey is VCOVXPNYFAUGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c14-11(13-8-4-7-12-13)15-9-10-5-2-1-3-6-10/h1-8H,9H2.
What are the key properties of benzyl pyrazole-1-carboxylate?
benzyl pyrazole-1-carboxylate has a molecular weight of 202.21 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl pyrazole-1-carboxylate is sourced from PubChem (CID 15371419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).