3-(1,3-benzoxazol-5-yl)-N-cyclopropyl-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxamide

C17H12FN5O2 — CID 118686664

IUPAC3-(1,3-benzoxazol-5-yl)-N-cyclopropyl-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NC1CC1)c1nn2cc(F)cnc2c1-c1ccc2ocnc2c1
InChIInChI=1S/C17H12FN5O2/c18-10-6-19-16-14(9-1-4-13-12(5-9)20-8-25-13)15(22-23(16)7-10)17(24)21-11-2-3-11/h1,4-8,11H,2-3H2,(H,21,24)
InChIKeyGIQDFHPIZSPNRV-UHFFFAOYSA-N
MW337.31 g/mol
LogP2.57
Rot. Bonds3

About 3-(1,3-benzoxazol-5-yl)-N-cyclopropyl-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxamide

3-(1,3-benzoxazol-5-yl)-N-cyclopropyl-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 118686664) has the molecular formula C17H12FN5O2 and a molecular weight of 337.31 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-5-yl)-N-cyclopropyl-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-(1,3-benzoxazol-5-yl)-N-cyclopropyl-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID118686664
Molecular FormulaC17H12FN5O2
Molecular Weight337.31 g/mol
Exact Mass337.10
IUPAC Name3-(1,3-benzoxazol-5-yl)-N-cyclopropyl-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NC1CC1)c1nn2cc(F)cnc2c1-c1ccc2ocnc2c1
InChIInChI=1S/C17H12FN5O2/c18-10-6-19-16-14(9-1-4-13-12(5-9)20-8-25-13)15(22-23(16)7-10)17(24)21-11-2-3-11/h1,4-8,11H,2-3H2,(H,21,24)
InChIKeyGIQDFHPIZSPNRV-UHFFFAOYSA-N
XLogP2.57
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-5-yl)-N-cyclopropyl-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-(1,3-benzoxazol-5-yl)-N-cyclopropyl-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 118686664) is 3-(1,3-benzoxazol-5-yl)-N-cyclopropyl-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-(1,3-benzoxazol-5-yl)-N-cyclopropyl-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-(1,3-benzoxazol-5-yl)-N-cyclopropyl-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NC1CC1)c1nn2cc(F)cnc2c1-c1ccc2ocnc2c1.
What is the InChIKey of 3-(1,3-benzoxazol-5-yl)-N-cyclopropyl-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is GIQDFHPIZSPNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O2/c18-10-6-19-16-14(9-1-4-13-12(5-9)20-8-25-13)15(22-23(16)7-10)17(24)21-11-2-3-11/h1,4-8,11H,2-3H2,(H,21,24).
What are the key properties of 3-(1,3-benzoxazol-5-yl)-N-cyclopropyl-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-(1,3-benzoxazol-5-yl)-N-cyclopropyl-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 337.31 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-5-yl)-N-cyclopropyl-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 118686664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).