5-chloro-6-(2-chlorophenyl)-7-[methyl(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C18H17Cl2N5 — CID 58630276

IUPAC5-chloro-6-(2-chlorophenyl)-7-[methyl(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC(C)CN(C)c1c(-c2ccccc2Cl)c(Cl)nc2c(C#N)cnn12
InChIInChI=1S/C18H17Cl2N5/c1-11(2)10-24(3)18-15(13-6-4-5-7-14(13)19)16(20)23-17-12(8-21)9-22-25(17)18/h4-7,9,11H,10H2,1-3H3
InChIKeyRZOIFOQOOJXYDZ-UHFFFAOYSA-N
MW374.28 g/mol
LogP4.67
Rot. Bonds4

About 5-chloro-6-(2-chlorophenyl)-7-[methyl(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

5-chloro-6-(2-chlorophenyl)-7-[methyl(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 58630276) has the molecular formula C18H17Cl2N5 and a molecular weight of 374.28 g/mol. Its IUPAC name is 5-chloro-6-(2-chlorophenyl)-7-[methyl(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-6-(2-chlorophenyl)-7-[methyl(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID58630276
Molecular FormulaC18H17Cl2N5
Molecular Weight374.28 g/mol
Exact Mass373.09
IUPAC Name5-chloro-6-(2-chlorophenyl)-7-[methyl(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC(C)CN(C)c1c(-c2ccccc2Cl)c(Cl)nc2c(C#N)cnn12
InChIInChI=1S/C18H17Cl2N5/c1-11(2)10-24(3)18-15(13-6-4-5-7-14(13)19)16(20)23-17-12(8-21)9-22-25(17)18/h4-7,9,11H,10H2,1-3H3
InChIKeyRZOIFOQOOJXYDZ-UHFFFAOYSA-N
XLogP4.67
TPSA57.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2-chlorophenyl)-7-[methyl(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 5-chloro-6-(2-chlorophenyl)-7-[methyl(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 58630276) is 5-chloro-6-(2-chlorophenyl)-7-[methyl(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 5-chloro-6-(2-chlorophenyl)-7-[methyl(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 5-chloro-6-(2-chlorophenyl)-7-[methyl(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is CC(C)CN(C)c1c(-c2ccccc2Cl)c(Cl)nc2c(C#N)cnn12.
What is the InChIKey of 5-chloro-6-(2-chlorophenyl)-7-[methyl(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is RZOIFOQOOJXYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N5/c1-11(2)10-24(3)18-15(13-6-4-5-7-14(13)19)16(20)23-17-12(8-21)9-22-25(17)18/h4-7,9,11H,10H2,1-3H3.
What are the key properties of 5-chloro-6-(2-chlorophenyl)-7-[methyl(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
5-chloro-6-(2-chlorophenyl)-7-[methyl(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 374.28 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2-chlorophenyl)-7-[methyl(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 58630276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).