N-[3-(1H-imidazol-2-yl)cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C14H14N6O — CID 166281654

IUPACN-[3-(1H-imidazol-2-yl)cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NC1CC(c2ncc[nH]2)C1)c1cc2ncccn2n1
InChIInChI=1S/C14H14N6O/c21-14(11-8-12-15-2-1-5-20(12)19-11)18-10-6-9(7-10)13-16-3-4-17-13/h1-5,8-10H,6-7H2,(H,16,17)(H,18,21)
InChIKeyIJZIVYIVLOOFFP-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.13
Rot. Bonds3

About N-[3-(1H-imidazol-2-yl)cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[3-(1H-imidazol-2-yl)cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 166281654) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is N-[3-(1H-imidazol-2-yl)cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-imidazol-2-yl)cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID166281654
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC NameN-[3-(1H-imidazol-2-yl)cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NC1CC(c2ncc[nH]2)C1)c1cc2ncccn2n1
InChIInChI=1S/C14H14N6O/c21-14(11-8-12-15-2-1-5-20(12)19-11)18-10-6-9(7-10)13-16-3-4-17-13/h1-5,8-10H,6-7H2,(H,16,17)(H,18,21)
InChIKeyIJZIVYIVLOOFFP-UHFFFAOYSA-N
XLogP1.13
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-imidazol-2-yl)cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[3-(1H-imidazol-2-yl)cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 166281654) is N-[3-(1H-imidazol-2-yl)cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[3-(1H-imidazol-2-yl)cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[3-(1H-imidazol-2-yl)cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NC1CC(c2ncc[nH]2)C1)c1cc2ncccn2n1.
What is the InChIKey of N-[3-(1H-imidazol-2-yl)cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is IJZIVYIVLOOFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c21-14(11-8-12-15-2-1-5-20(12)19-11)18-10-6-9(7-10)13-16-3-4-17-13/h1-5,8-10H,6-7H2,(H,16,17)(H,18,21).
What are the key properties of N-[3-(1H-imidazol-2-yl)cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[3-(1H-imidazol-2-yl)cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-imidazol-2-yl)cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 166281654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).