N-[(5-chlorofuran-2-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C13H11ClN4O2 — CID 166332112

IUPACN-[(5-chlorofuran-2-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCc2ccc(Cl)o2)cnc2ccnn12
InChIInChI=1S/C13H11ClN4O2/c1-8-10(7-15-12-4-5-17-18(8)12)13(19)16-6-9-2-3-11(14)20-9/h2-5,7H,6H2,1H3,(H,16,19)
InChIKeySQLNVBMXLCEXNX-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.21
Rot. Bonds3

About N-[(5-chlorofuran-2-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide

N-[(5-chlorofuran-2-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 166332112) has the molecular formula C13H11ClN4O2 and a molecular weight of 290.71 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID166332112
Molecular FormulaC13H11ClN4O2
Molecular Weight290.71 g/mol
Exact Mass290.06
IUPAC NameN-[(5-chlorofuran-2-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCc2ccc(Cl)o2)cnc2ccnn12
InChIInChI=1S/C13H11ClN4O2/c1-8-10(7-15-12-4-5-17-18(8)12)13(19)16-6-9-2-3-11(14)20-9/h2-5,7H,6H2,1H3,(H,16,19)
InChIKeySQLNVBMXLCEXNX-UHFFFAOYSA-N
XLogP2.21
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 166332112) is N-[(5-chlorofuran-2-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(5-chlorofuran-2-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1c(C(=O)NCc2ccc(Cl)o2)cnc2ccnn12.
What is the InChIKey of N-[(5-chlorofuran-2-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is SQLNVBMXLCEXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O2/c1-8-10(7-15-12-4-5-17-18(8)12)13(19)16-6-9-2-3-11(14)20-9/h2-5,7H,6H2,1H3,(H,16,19).
What are the key properties of N-[(5-chlorofuran-2-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-[(5-chlorofuran-2-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 290.71 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorofuran-2-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 166332112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).