3-(5-chloro-2-fluorophenyl)-N-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C16H12ClFN4O — CID 118686646

IUPAC3-(5-chloro-2-fluorophenyl)-N-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NC1CC1)c1nn2cccnc2c1-c1cc(Cl)ccc1F
InChIInChI=1S/C16H12ClFN4O/c17-9-2-5-12(18)11(8-9)13-14(16(23)20-10-3-4-10)21-22-7-1-6-19-15(13)22/h1-2,5-8,10H,3-4H2,(H,20,23)
InChIKeyXSUKTFKYVJYUBR-UHFFFAOYSA-N
MW330.75 g/mol
LogP3.08
Rot. Bonds3

About 3-(5-chloro-2-fluorophenyl)-N-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carboxamide

3-(5-chloro-2-fluorophenyl)-N-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 118686646) has the molecular formula C16H12ClFN4O and a molecular weight of 330.75 g/mol. Its IUPAC name is 3-(5-chloro-2-fluorophenyl)-N-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-(5-chloro-2-fluorophenyl)-N-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID118686646
Molecular FormulaC16H12ClFN4O
Molecular Weight330.75 g/mol
Exact Mass330.07
IUPAC Name3-(5-chloro-2-fluorophenyl)-N-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NC1CC1)c1nn2cccnc2c1-c1cc(Cl)ccc1F
InChIInChI=1S/C16H12ClFN4O/c17-9-2-5-12(18)11(8-9)13-14(16(23)20-10-3-4-10)21-22-7-1-6-19-15(13)22/h1-2,5-8,10H,3-4H2,(H,20,23)
InChIKeyXSUKTFKYVJYUBR-UHFFFAOYSA-N
XLogP3.08
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.75
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-fluorophenyl)-N-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-(5-chloro-2-fluorophenyl)-N-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 118686646) is 3-(5-chloro-2-fluorophenyl)-N-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-(5-chloro-2-fluorophenyl)-N-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-(5-chloro-2-fluorophenyl)-N-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NC1CC1)c1nn2cccnc2c1-c1cc(Cl)ccc1F.
What is the InChIKey of 3-(5-chloro-2-fluorophenyl)-N-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is XSUKTFKYVJYUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN4O/c17-9-2-5-12(18)11(8-9)13-14(16(23)20-10-3-4-10)21-22-7-1-6-19-15(13)22/h1-2,5-8,10H,3-4H2,(H,20,23).
What are the key properties of 3-(5-chloro-2-fluorophenyl)-N-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-(5-chloro-2-fluorophenyl)-N-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 330.75 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-fluorophenyl)-N-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 118686646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).