1-(2,4-dichlorophenyl)-N-[7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-5-methylpyrazole-3-carboxamide

C20H19Cl2N7O — CID 167853509

IUPAC1-(2,4-dichlorophenyl)-N-[7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-5-methylpyrazole-3-carboxamide
SMILESCc1cc2nc(NC(=O)c3cc(C)n(-c4ccc(Cl)cc4Cl)n3)cc(N(C)C)n2n1
InChIInChI=1S/C20H19Cl2N7O/c1-11-7-18-23-17(10-19(27(3)4)29(18)25-11)24-20(30)15-8-12(2)28(26-15)16-6-5-13(21)9-14(16)22/h5-10H,1-4H3,(H,23,24,30)
InChIKeyBSJWCXDBGVFCCJ-UHFFFAOYSA-N
MW444.33 g/mol
LogP4.16
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-N-[7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-5-methylpyrazole-3-carboxamide

1-(2,4-dichlorophenyl)-N-[7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-5-methylpyrazole-3-carboxamide (PubChem CID 167853509) has the molecular formula C20H19Cl2N7O and a molecular weight of 444.33 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-[7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-[7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-5-methylpyrazole-3-carboxamide
PubChem CID167853509
Molecular FormulaC20H19Cl2N7O
Molecular Weight444.33 g/mol
Exact Mass443.10
IUPAC Name1-(2,4-dichlorophenyl)-N-[7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-5-methylpyrazole-3-carboxamide
SMILESCc1cc2nc(NC(=O)c3cc(C)n(-c4ccc(Cl)cc4Cl)n3)cc(N(C)C)n2n1
InChIInChI=1S/C20H19Cl2N7O/c1-11-7-18-23-17(10-19(27(3)4)29(18)25-11)24-20(30)15-8-12(2)28(26-15)16-6-5-13(21)9-14(16)22/h5-10H,1-4H3,(H,23,24,30)
InChIKeyBSJWCXDBGVFCCJ-UHFFFAOYSA-N
XLogP4.16
TPSA80.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.33
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-[7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-5-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-[7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-5-methylpyrazole-3-carboxamide (CID 167853509) is 1-(2,4-dichlorophenyl)-N-[7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-[7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-[7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-5-methylpyrazole-3-carboxamide is Cc1cc2nc(NC(=O)c3cc(C)n(-c4ccc(Cl)cc4Cl)n3)cc(N(C)C)n2n1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-[7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-5-methylpyrazole-3-carboxamide?
The InChIKey is BSJWCXDBGVFCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N7O/c1-11-7-18-23-17(10-19(27(3)4)29(18)25-11)24-20(30)15-8-12(2)28(26-15)16-6-5-13(21)9-14(16)22/h5-10H,1-4H3,(H,23,24,30).
What are the key properties of 1-(2,4-dichlorophenyl)-N-[7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-5-methylpyrazole-3-carboxamide?
1-(2,4-dichlorophenyl)-N-[7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-5-methylpyrazole-3-carboxamide has a molecular weight of 444.33 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-[7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 167853509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).