5-chloro-7-[(3-chlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C14H9Cl2N5 — CID 155104401

IUPAC5-chloro-7-[(3-chlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2c(NCc3cccc(Cl)c3)cc(Cl)nc12
InChIInChI=1S/C14H9Cl2N5/c15-11-3-1-2-9(4-11)7-18-13-5-12(16)20-14-10(6-17)8-19-21(13)14/h1-5,8,18H,7H2
InChIKeyXBDDXCDLFIIVKY-UHFFFAOYSA-N
MW318.17 g/mol
LogP3.52
Rot. Bonds3

About 5-chloro-7-[(3-chlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

5-chloro-7-[(3-chlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 155104401) has the molecular formula C14H9Cl2N5 and a molecular weight of 318.17 g/mol. Its IUPAC name is 5-chloro-7-[(3-chlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-7-[(3-chlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID155104401
Molecular FormulaC14H9Cl2N5
Molecular Weight318.17 g/mol
Exact Mass317.02
IUPAC Name5-chloro-7-[(3-chlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2c(NCc3cccc(Cl)c3)cc(Cl)nc12
InChIInChI=1S/C14H9Cl2N5/c15-11-3-1-2-9(4-11)7-18-13-5-12(16)20-14-10(6-17)8-19-21(13)14/h1-5,8,18H,7H2
InChIKeyXBDDXCDLFIIVKY-UHFFFAOYSA-N
XLogP3.52
TPSA66.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-[(3-chlorophenyl)methylamino]-5-[[(3S)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 155104195
(5-chloro-3-cyanopyrazolo[1,5-a]pyrimidin-7-yl) N-[(3-fluorophenyl)methyl]carbamate
CID 155104431
5,7-dichloro-6-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 114514541
2-[(3-chlorophenyl)methylamino]-6-methylpyridine-3-carbonitrile
CID 62539424
5-amino-2-[(3-chlorophenyl)methylamino]pyridine-3-carbonitrile
CID 62537909
2-[(3-chlorophenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60980322
2-[(3-chlorophenyl)methylamino]-3-methoxybenzonitrile
CID 107467002
3-amino-2-[(3-chlorophenyl)methylamino]pyridine-4-carbonitrile
CID 82816673
5-chloro-7-[[(3S)-6,6-dimethylpiperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 169098927
5-[(3-chlorophenyl)methylamino]pyrazine-2-carbonitrile
CID 63658175
2-[(3-chlorophenyl)methylamino]-5-nitropyridine-3-carbonitrile
CID 60678575
3-[(3-chlorophenyl)methylamino]pyrazine-2,5-dicarbonitrile
CID 71540606

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-[(3-chlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 5-chloro-7-[(3-chlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 155104401) is 5-chloro-7-[(3-chlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 5-chloro-7-[(3-chlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 5-chloro-7-[(3-chlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is N#Cc1cnn2c(NCc3cccc(Cl)c3)cc(Cl)nc12.
What is the InChIKey of 5-chloro-7-[(3-chlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is XBDDXCDLFIIVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N5/c15-11-3-1-2-9(4-11)7-18-13-5-12(16)20-14-10(6-17)8-19-21(13)14/h1-5,8,18H,7H2.
What are the key properties of 5-chloro-7-[(3-chlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
5-chloro-7-[(3-chlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 318.17 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-[(3-chlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 155104401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).