N-[5-chloro-2-(cyclobutylmethoxy)phenyl]pyrazolo[1,5-a]pyrazine-3-carboxamide

C18H17ClN4O2 — CID 166209363

IUPACN-[5-chloro-2-(cyclobutylmethoxy)phenyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1OCC1CCC1)c1cnn2ccncc12
InChIInChI=1S/C18H17ClN4O2/c19-13-4-5-17(25-11-12-2-1-3-12)15(8-13)22-18(24)14-9-21-23-7-6-20-10-16(14)23/h4-10,12H,1-3,11H2,(H,22,24)
InChIKeyCGBFXBPDEKPRQQ-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.81
Rot. Bonds5

About N-[5-chloro-2-(cyclobutylmethoxy)phenyl]pyrazolo[1,5-a]pyrazine-3-carboxamide

N-[5-chloro-2-(cyclobutylmethoxy)phenyl]pyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 166209363) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is N-[5-chloro-2-(cyclobutylmethoxy)phenyl]pyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(cyclobutylmethoxy)phenyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID166209363
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC NameN-[5-chloro-2-(cyclobutylmethoxy)phenyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1OCC1CCC1)c1cnn2ccncc12
InChIInChI=1S/C18H17ClN4O2/c19-13-4-5-17(25-11-12-2-1-3-12)15(8-13)22-18(24)14-9-21-23-7-6-20-10-16(14)23/h4-10,12H,1-3,11H2,(H,22,24)
InChIKeyCGBFXBPDEKPRQQ-UHFFFAOYSA-N
XLogP3.81
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-5-chlorophenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103115950
N-[5-chloro-2-(cyclobutylmethoxy)phenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 99829500
N-(2-chloro-4-cyanophenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 107808178
N-cyclopentylpyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103119999
2-cyclobutyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 103124629
N-[5-chloro-2-(2-methoxyethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66664795
N-[5-chloro-2-(2-hydroxyethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66664748
1-[[5-chloro-2-(cyclobutylmethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122091053
N-[5-chloro-2-(cyclobutylmethoxy)phenyl]-5-(methylsulfamoyl)furan-3-carboxamide
CID 126778857
N-(5-chloro-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 755928
N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-6-pyrazol-1-ylpyrazine-2-carboxamide
CID 166285191
3-chloro-N-(5-chloro-2-propoxyphenyl)pyridine-4-carboxamide
CID 66462452

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(cyclobutylmethoxy)phenyl]pyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of N-[5-chloro-2-(cyclobutylmethoxy)phenyl]pyrazolo[1,5-a]pyrazine-3-carboxamide (CID 166209363) is N-[5-chloro-2-(cyclobutylmethoxy)phenyl]pyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(cyclobutylmethoxy)phenyl]pyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for N-[5-chloro-2-(cyclobutylmethoxy)phenyl]pyrazolo[1,5-a]pyrazine-3-carboxamide is O=C(Nc1cc(Cl)ccc1OCC1CCC1)c1cnn2ccncc12.
What is the InChIKey of N-[5-chloro-2-(cyclobutylmethoxy)phenyl]pyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is CGBFXBPDEKPRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c19-13-4-5-17(25-11-12-2-1-3-12)15(8-13)22-18(24)14-9-21-23-7-6-20-10-16(14)23/h4-10,12H,1-3,11H2,(H,22,24).
What are the key properties of N-[5-chloro-2-(cyclobutylmethoxy)phenyl]pyrazolo[1,5-a]pyrazine-3-carboxamide?
N-[5-chloro-2-(cyclobutylmethoxy)phenyl]pyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 356.81 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(cyclobutylmethoxy)phenyl]pyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 166209363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).