2-(furan-2-yl)-3-[(3-propylpyrrol-1-yl)methyl]pyrazolo[1,5-a]pyrimidine

C18H18N4O — CID 141416431

IUPAC2-(furan-2-yl)-3-[(3-propylpyrrol-1-yl)methyl]pyrazolo[1,5-a]pyrimidine
SMILESCCCc1ccn(Cc2c(-c3ccco3)nn3cccnc23)c1
InChIInChI=1S/C18H18N4O/c1-2-5-14-7-10-21(12-14)13-15-17(16-6-3-11-23-16)20-22-9-4-8-19-18(15)22/h3-4,6-12H,2,5,13H2,1H3
InChIKeyBQAHZXWRLOMURE-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.79
Rot. Bonds5

About 2-(furan-2-yl)-3-[(3-propylpyrrol-1-yl)methyl]pyrazolo[1,5-a]pyrimidine

2-(furan-2-yl)-3-[(3-propylpyrrol-1-yl)methyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 141416431) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-(furan-2-yl)-3-[(3-propylpyrrol-1-yl)methyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(furan-2-yl)-3-[(3-propylpyrrol-1-yl)methyl]pyrazolo[1,5-a]pyrimidine
PubChem CID141416431
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name2-(furan-2-yl)-3-[(3-propylpyrrol-1-yl)methyl]pyrazolo[1,5-a]pyrimidine
SMILESCCCc1ccn(Cc2c(-c3ccco3)nn3cccnc23)c1
InChIInChI=1S/C18H18N4O/c1-2-5-14-7-10-21(12-14)13-15-17(16-6-3-11-23-16)20-22-9-4-8-19-18(15)22/h3-4,6-12H,2,5,13H2,1H3
InChIKeyBQAHZXWRLOMURE-UHFFFAOYSA-N
XLogP3.79
TPSA48.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-3-[(3-propylpyrrol-1-yl)methyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(furan-2-yl)-3-[(3-propylpyrrol-1-yl)methyl]pyrazolo[1,5-a]pyrimidine (CID 141416431) is 2-(furan-2-yl)-3-[(3-propylpyrrol-1-yl)methyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(furan-2-yl)-3-[(3-propylpyrrol-1-yl)methyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(furan-2-yl)-3-[(3-propylpyrrol-1-yl)methyl]pyrazolo[1,5-a]pyrimidine is CCCc1ccn(Cc2c(-c3ccco3)nn3cccnc23)c1.
What is the InChIKey of 2-(furan-2-yl)-3-[(3-propylpyrrol-1-yl)methyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is BQAHZXWRLOMURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-2-5-14-7-10-21(12-14)13-15-17(16-6-3-11-23-16)20-22-9-4-8-19-18(15)22/h3-4,6-12H,2,5,13H2,1H3.
What are the key properties of 2-(furan-2-yl)-3-[(3-propylpyrrol-1-yl)methyl]pyrazolo[1,5-a]pyrimidine?
2-(furan-2-yl)-3-[(3-propylpyrrol-1-yl)methyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 306.37 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-3-[(3-propylpyrrol-1-yl)methyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 141416431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).