N-(furan-2-ylmethyl)-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide

C19H16N4O2 — CID 46079602

IUPACN-(furan-2-ylmethyl)-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCc1cc(C(=O)NCc2ccco2)nc2cc(-c3ccccc3)nn12
InChIInChI=1S/C19H16N4O2/c1-13-10-17(19(24)20-12-15-8-5-9-25-15)21-18-11-16(22-23(13)18)14-6-3-2-4-7-14/h2-11H,12H2,1H3,(H,20,24)
InChIKeyPBEIIJSDSVQOSL-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.23
Rot. Bonds4

About N-(furan-2-ylmethyl)-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide

N-(furan-2-ylmethyl)-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 46079602) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID46079602
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC NameN-(furan-2-ylmethyl)-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCc1cc(C(=O)NCc2ccco2)nc2cc(-c3ccccc3)nn12
InChIInChI=1S/C19H16N4O2/c1-13-10-17(19(24)20-12-15-8-5-9-25-15)21-18-11-16(22-23(13)18)14-6-3-2-4-7-14/h2-11H,12H2,1H3,(H,20,24)
InChIKeyPBEIIJSDSVQOSL-UHFFFAOYSA-N
XLogP3.23
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 46079602) is N-(furan-2-ylmethyl)-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide is Cc1cc(C(=O)NCc2ccco2)nc2cc(-c3ccccc3)nn12.
What is the InChIKey of N-(furan-2-ylmethyl)-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is PBEIIJSDSVQOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-13-10-17(19(24)20-12-15-8-5-9-25-15)21-18-11-16(22-23(13)18)14-6-3-2-4-7-14/h2-11H,12H2,1H3,(H,20,24).
What are the key properties of N-(furan-2-ylmethyl)-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-(furan-2-ylmethyl)-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 46079602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).