5-amino-N-[2-(2,5-dichlorophenyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H11Cl2N7O — CID 58063089

IUPAC5-amino-N-[2-(2,5-dichlorophenyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1ccn2ncc(C(=O)Nc3ccnn3-c3cc(Cl)ccc3Cl)c2n1
InChIInChI=1S/C16H11Cl2N7O/c17-9-1-2-11(18)12(7-9)25-14(3-5-20-25)23-16(26)10-8-21-24-6-4-13(19)22-15(10)24/h1-8H,(H2,19,22)(H,23,26)
InChIKeyMLUHNCCVOONEHK-UHFFFAOYSA-N
MW388.22 g/mol
LogP3.06
Rot. Bonds3

About 5-amino-N-[2-(2,5-dichlorophenyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-amino-N-[2-(2,5-dichlorophenyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 58063089) has the molecular formula C16H11Cl2N7O and a molecular weight of 388.22 g/mol. Its IUPAC name is 5-amino-N-[2-(2,5-dichlorophenyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-[2-(2,5-dichlorophenyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID58063089
Molecular FormulaC16H11Cl2N7O
Molecular Weight388.22 g/mol
Exact Mass387.04
IUPAC Name5-amino-N-[2-(2,5-dichlorophenyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1ccn2ncc(C(=O)Nc3ccnn3-c3cc(Cl)ccc3Cl)c2n1
InChIInChI=1S/C16H11Cl2N7O/c17-9-1-2-11(18)12(7-9)25-14(3-5-20-25)23-16(26)10-8-21-24-6-4-13(19)22-15(10)24/h1-8H,(H2,19,22)(H,23,26)
InChIKeyMLUHNCCVOONEHK-UHFFFAOYSA-N
XLogP3.06
TPSA103.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.22
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(2,5-dichlorophenyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-amino-N-[2-(2,5-dichlorophenyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 58063089) is 5-amino-N-[2-(2,5-dichlorophenyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-amino-N-[2-(2,5-dichlorophenyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-amino-N-[2-(2,5-dichlorophenyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1ccn2ncc(C(=O)Nc3ccnn3-c3cc(Cl)ccc3Cl)c2n1.
What is the InChIKey of 5-amino-N-[2-(2,5-dichlorophenyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MLUHNCCVOONEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N7O/c17-9-1-2-11(18)12(7-9)25-14(3-5-20-25)23-16(26)10-8-21-24-6-4-13(19)22-15(10)24/h1-8H,(H2,19,22)(H,23,26).
What are the key properties of 5-amino-N-[2-(2,5-dichlorophenyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-amino-N-[2-(2,5-dichlorophenyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 388.22 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(2,5-dichlorophenyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 58063089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).