6-methyl-4-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3H-furo[2,3-d]pyrimidine-5-carboxamide

C13H10F3N5O3 — CID 154802852

IUPAC6-methyl-4-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3H-furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2nc[nH]c(=O)c2c1C(=O)Nc1ccn(CC(F)(F)F)n1
InChIInChI=1S/C13H10F3N5O3/c1-6-8(9-10(22)17-5-18-12(9)24-6)11(23)19-7-2-3-21(20-7)4-13(14,15)16/h2-3,5H,4H2,1H3,(H,17,18,22)(H,19,20,23)
InChIKeyCSACKZKYPSDKFN-UHFFFAOYSA-N
MW341.25 g/mol
LogP1.84
Rot. Bonds3

About 6-methyl-4-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3H-furo[2,3-d]pyrimidine-5-carboxamide

6-methyl-4-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3H-furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 154802852) has the molecular formula C13H10F3N5O3 and a molecular weight of 341.25 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3H-furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3H-furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID154802852
Molecular FormulaC13H10F3N5O3
Molecular Weight341.25 g/mol
Exact Mass341.07
IUPAC Name6-methyl-4-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3H-furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2nc[nH]c(=O)c2c1C(=O)Nc1ccn(CC(F)(F)F)n1
InChIInChI=1S/C13H10F3N5O3/c1-6-8(9-10(22)17-5-18-12(9)24-6)11(23)19-7-2-3-21(20-7)4-13(14,15)16/h2-3,5H,4H2,1H3,(H,17,18,22)(H,19,20,23)
InChIKeyCSACKZKYPSDKFN-UHFFFAOYSA-N
XLogP1.84
TPSA105.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3H-furo[2,3-d]pyrimidine-5-carboxamide (CID 154802852) is 6-methyl-4-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3H-furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3H-furo[2,3-d]pyrimidine-5-carboxamide is Cc1oc2nc[nH]c(=O)c2c1C(=O)Nc1ccn(CC(F)(F)F)n1.
What is the InChIKey of 6-methyl-4-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is CSACKZKYPSDKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5O3/c1-6-8(9-10(22)17-5-18-12(9)24-6)11(23)19-7-2-3-21(20-7)4-13(14,15)16/h2-3,5H,4H2,1H3,(H,17,18,22)(H,19,20,23).
What are the key properties of 6-methyl-4-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3H-furo[2,3-d]pyrimidine-5-carboxamide?
6-methyl-4-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3H-furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 341.25 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3H-furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 154802852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).