propan-2-yl 3-(furan-2-yl)-1-phenylpyrazole-4-carboxylate

C17H16N2O3 — CID 2200688

IUPACpropan-2-yl 3-(furan-2-yl)-1-phenylpyrazole-4-carboxylate
SMILESCC(C)OC(=O)c1cn(-c2ccccc2)nc1-c1ccco1
InChIInChI=1S/C17H16N2O3/c1-12(2)22-17(20)14-11-19(13-7-4-3-5-8-13)18-16(14)15-9-6-10-21-15/h3-12H,1-2H3
InChIKeyGTCIAVXOEODAPJ-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.70
Rot. Bonds4

About propan-2-yl 3-(furan-2-yl)-1-phenylpyrazole-4-carboxylate

propan-2-yl 3-(furan-2-yl)-1-phenylpyrazole-4-carboxylate (PubChem CID 2200688) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is propan-2-yl 3-(furan-2-yl)-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3-(furan-2-yl)-1-phenylpyrazole-4-carboxylate
PubChem CID2200688
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Namepropan-2-yl 3-(furan-2-yl)-1-phenylpyrazole-4-carboxylate
SMILESCC(C)OC(=O)c1cn(-c2ccccc2)nc1-c1ccco1
InChIInChI=1S/C17H16N2O3/c1-12(2)22-17(20)14-11-19(13-7-4-3-5-8-13)18-16(14)15-9-6-10-21-15/h3-12H,1-2H3
InChIKeyGTCIAVXOEODAPJ-UHFFFAOYSA-N
XLogP3.70
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-(furan-2-yl)-1-phenylpyrazole-4-carboxylate?
The IUPAC name of propan-2-yl 3-(furan-2-yl)-1-phenylpyrazole-4-carboxylate (CID 2200688) is propan-2-yl 3-(furan-2-yl)-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for propan-2-yl 3-(furan-2-yl)-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for propan-2-yl 3-(furan-2-yl)-1-phenylpyrazole-4-carboxylate is CC(C)OC(=O)c1cn(-c2ccccc2)nc1-c1ccco1.
What is the InChIKey of propan-2-yl 3-(furan-2-yl)-1-phenylpyrazole-4-carboxylate?
The InChIKey is GTCIAVXOEODAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-12(2)22-17(20)14-11-19(13-7-4-3-5-8-13)18-16(14)15-9-6-10-21-15/h3-12H,1-2H3.
What are the key properties of propan-2-yl 3-(furan-2-yl)-1-phenylpyrazole-4-carboxylate?
propan-2-yl 3-(furan-2-yl)-1-phenylpyrazole-4-carboxylate has a molecular weight of 296.33 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-(furan-2-yl)-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 2200688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).