N-benzyl-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-5-amine

C17H14N4O — CID 157038667

IUPACN-benzyl-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESc1ccc(CNc2ccn3nc(-c4ccco4)cc3n2)cc1
InChIInChI=1S/C17H14N4O/c1-2-5-13(6-3-1)12-18-16-8-9-21-17(19-16)11-14(20-21)15-7-4-10-22-15/h1-11H,12H2,(H,18,19)
InChIKeyASSJPDHHSKZGJV-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.60
Rot. Bonds4

About N-benzyl-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-5-amine

N-benzyl-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 157038667) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is N-benzyl-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-benzyl-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID157038667
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC NameN-benzyl-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESc1ccc(CNc2ccn3nc(-c4ccco4)cc3n2)cc1
InChIInChI=1S/C17H14N4O/c1-2-5-13(6-3-1)12-18-16-8-9-21-17(19-16)11-14(20-21)15-7-4-10-22-15/h1-11H,12H2,(H,18,19)
InChIKeyASSJPDHHSKZGJV-UHFFFAOYSA-N
XLogP3.60
TPSA55.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-N-benzyl-[1,2,4]triazolo[1,5-a]pyridine-2,7-diamine
CID 82555742
4-N-[(4-bromophenyl)methyl]-6-(furan-2-yl)pyrimidine-2,4-diamine
CID 150817092
2-phenyl-N-(2-pyridin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 155900200
1-benzyl-3-(furan-2-yl)pyrazol-5-amine
CID 15858676
3-(aminomethyl)-N-benzyl-4-(2-fluorophenyl)-6-(furan-2-yl)pyridin-2-amine
CID 142908404
N-benzyl-1-(4-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 1053385
4-N-benzyl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112889273
[5-(benzylamino)-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(3-fluorophenyl)methanone
CID 71253318
[5-(benzylamino)-3-(furan-2-yl)-1,2,4-triazol-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 71253575
5-(benzylamino)-2-bromopyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 157038397
N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372312
4-N-benzyl-6-N-[2-(furan-2-yl)ethyl]pyrimidine-4,6-diamine
CID 167864610

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-benzyl-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 157038667) is N-benzyl-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-benzyl-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-benzyl-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-5-amine is c1ccc(CNc2ccn3nc(-c4ccco4)cc3n2)cc1.
What is the InChIKey of N-benzyl-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is ASSJPDHHSKZGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-2-5-13(6-3-1)12-18-16-8-9-21-17(19-16)11-14(20-21)15-7-4-10-22-15/h1-11H,12H2,(H,18,19).
What are the key properties of N-benzyl-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-5-amine?
N-benzyl-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 290.33 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 157038667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).