3-chloro-N-(4-cyano-1-methylpyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C12H8ClN7O — CID 1256253

IUPAC3-chloro-N-(4-cyano-1-methylpyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCn1ncc(C#N)c1NC(=O)c1nn2cccnc2c1Cl
InChIInChI=1S/C12H8ClN7O/c1-19-10(7(5-14)6-16-19)17-12(21)9-8(13)11-15-3-2-4-20(11)18-9/h2-4,6H,1H3,(H,17,21)
InChIKeyJUCCOVQXOPVTQL-UHFFFAOYSA-N
MW301.70 g/mol
LogP1.24
Rot. Bonds2

About 3-chloro-N-(4-cyano-1-methylpyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

3-chloro-N-(4-cyano-1-methylpyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1256253) has the molecular formula C12H8ClN7O and a molecular weight of 301.70 g/mol. Its IUPAC name is 3-chloro-N-(4-cyano-1-methylpyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(4-cyano-1-methylpyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1256253
Molecular FormulaC12H8ClN7O
Molecular Weight301.70 g/mol
Exact Mass301.05
IUPAC Name3-chloro-N-(4-cyano-1-methylpyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCn1ncc(C#N)c1NC(=O)c1nn2cccnc2c1Cl
InChIInChI=1S/C12H8ClN7O/c1-19-10(7(5-14)6-16-19)17-12(21)9-8(13)11-15-3-2-4-20(11)18-9/h2-4,6H,1H3,(H,17,21)
InChIKeyJUCCOVQXOPVTQL-UHFFFAOYSA-N
XLogP1.24
TPSA100.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.70
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-cyano-1-methylpyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-chloro-N-(4-cyano-1-methylpyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1256253) is 3-chloro-N-(4-cyano-1-methylpyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(4-cyano-1-methylpyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-chloro-N-(4-cyano-1-methylpyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cn1ncc(C#N)c1NC(=O)c1nn2cccnc2c1Cl.
What is the InChIKey of 3-chloro-N-(4-cyano-1-methylpyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is JUCCOVQXOPVTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN7O/c1-19-10(7(5-14)6-16-19)17-12(21)9-8(13)11-15-3-2-4-20(11)18-9/h2-4,6H,1H3,(H,17,21).
What are the key properties of 3-chloro-N-(4-cyano-1-methylpyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-chloro-N-(4-cyano-1-methylpyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 301.70 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-cyano-1-methylpyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1256253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).