7-amino-6-[2-(difluoromethyl)naphthalen-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C18H11F2N5 — CID 170314012

IUPAC7-amino-6-[2-(difluoromethyl)naphthalen-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2c(N)c(-c3c(C(F)F)ccc4ccccc34)cnc12
InChIInChI=1S/C18H11F2N5/c19-16(20)13-6-5-10-3-1-2-4-12(10)15(13)14-9-23-18-11(7-21)8-24-25(18)17(14)22/h1-6,8-9,16H,22H2
InChIKeyIAZGWSZEENLYQK-UHFFFAOYSA-N
MW335.32 g/mol
LogP3.94
Rot. Bonds2

About 7-amino-6-[2-(difluoromethyl)naphthalen-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

7-amino-6-[2-(difluoromethyl)naphthalen-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 170314012) has the molecular formula C18H11F2N5 and a molecular weight of 335.32 g/mol. Its IUPAC name is 7-amino-6-[2-(difluoromethyl)naphthalen-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-amino-6-[2-(difluoromethyl)naphthalen-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID170314012
Molecular FormulaC18H11F2N5
Molecular Weight335.32 g/mol
Exact Mass335.10
IUPAC Name7-amino-6-[2-(difluoromethyl)naphthalen-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2c(N)c(-c3c(C(F)F)ccc4ccccc34)cnc12
InChIInChI=1S/C18H11F2N5/c19-16(20)13-6-5-10-3-1-2-4-12(10)15(13)14-9-23-18-11(7-21)8-24-25(18)17(14)22/h1-6,8-9,16H,22H2
InChIKeyIAZGWSZEENLYQK-UHFFFAOYSA-N
XLogP3.94
TPSA80.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-amino-6-[2-(difluoromethyl)naphthalen-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-amino-6-[2-(difluoromethyl)naphthalen-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 170314012) is 7-amino-6-[2-(difluoromethyl)naphthalen-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-amino-6-[2-(difluoromethyl)naphthalen-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-amino-6-[2-(difluoromethyl)naphthalen-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is N#Cc1cnn2c(N)c(-c3c(C(F)F)ccc4ccccc34)cnc12.
What is the InChIKey of 7-amino-6-[2-(difluoromethyl)naphthalen-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is IAZGWSZEENLYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2N5/c19-16(20)13-6-5-10-3-1-2-4-12(10)15(13)14-9-23-18-11(7-21)8-24-25(18)17(14)22/h1-6,8-9,16H,22H2.
What are the key properties of 7-amino-6-[2-(difluoromethyl)naphthalen-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
7-amino-6-[2-(difluoromethyl)naphthalen-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 335.32 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-[2-(difluoromethyl)naphthalen-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 170314012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).