N-[1-cyclobutyl-3-(difluoromethyl)pyrazol-4-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide

C16H15F2N5O — CID 156823358

IUPACN-[1-cyclobutyl-3-(difluoromethyl)pyrazol-4-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESO=C(Nc1cn(C2CCC2)nc1C(F)F)c1ccn2cccnc12
InChIInChI=1S/C16H15F2N5O/c17-14(18)13-12(9-23(21-13)10-3-1-4-10)20-16(24)11-5-8-22-7-2-6-19-15(11)22/h2,5-10,14H,1,3-4H2,(H,20,24)
InChIKeyUEOPIKWCJMFUTB-UHFFFAOYSA-N
MW331.33 g/mol
LogP3.45
Rot. Bonds4

About N-[1-cyclobutyl-3-(difluoromethyl)pyrazol-4-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide

N-[1-cyclobutyl-3-(difluoromethyl)pyrazol-4-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide (PubChem CID 156823358) has the molecular formula C16H15F2N5O and a molecular weight of 331.33 g/mol. Its IUPAC name is N-[1-cyclobutyl-3-(difluoromethyl)pyrazol-4-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound NameN-[1-cyclobutyl-3-(difluoromethyl)pyrazol-4-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
PubChem CID156823358
Molecular FormulaC16H15F2N5O
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC NameN-[1-cyclobutyl-3-(difluoromethyl)pyrazol-4-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESO=C(Nc1cn(C2CCC2)nc1C(F)F)c1ccn2cccnc12
InChIInChI=1S/C16H15F2N5O/c17-14(18)13-12(9-23(21-13)10-3-1-4-10)20-16(24)11-5-8-22-7-2-6-19-15(11)22/h2,5-10,14H,1,3-4H2,(H,20,24)
InChIKeyUEOPIKWCJMFUTB-UHFFFAOYSA-N
XLogP3.45
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclobutyl-3-(difluoromethyl)pyrazol-4-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The IUPAC name of N-[1-cyclobutyl-3-(difluoromethyl)pyrazol-4-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide (CID 156823358) is N-[1-cyclobutyl-3-(difluoromethyl)pyrazol-4-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide.
What is the SMILES notation for N-[1-cyclobutyl-3-(difluoromethyl)pyrazol-4-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The canonical SMILES for N-[1-cyclobutyl-3-(difluoromethyl)pyrazol-4-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide is O=C(Nc1cn(C2CCC2)nc1C(F)F)c1ccn2cccnc12.
What is the InChIKey of N-[1-cyclobutyl-3-(difluoromethyl)pyrazol-4-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The InChIKey is UEOPIKWCJMFUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N5O/c17-14(18)13-12(9-23(21-13)10-3-1-4-10)20-16(24)11-5-8-22-7-2-6-19-15(11)22/h2,5-10,14H,1,3-4H2,(H,20,24).
What are the key properties of N-[1-cyclobutyl-3-(difluoromethyl)pyrazol-4-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
N-[1-cyclobutyl-3-(difluoromethyl)pyrazol-4-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide has a molecular weight of 331.33 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclobutyl-3-(difluoromethyl)pyrazol-4-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 156823358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).