7-(4-bromo-1-ethylpyrazol-3-yl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C20H23BrN8O — CID 19441230

IUPAC7-(4-bromo-1-ethylpyrazol-3-yl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1cc(Br)c(-c2ccnc3cc(C(=O)N(C)Cc4c(C)nn(C)c4C)nn23)n1
InChIInChI=1S/C20H23BrN8O/c1-6-28-11-15(21)19(25-28)17-7-8-22-18-9-16(24-29(17)18)20(30)26(4)10-14-12(2)23-27(5)13(14)3/h7-9,11H,6,10H2,1-5H3
InChIKeyZBSXTZSXZJCSAD-UHFFFAOYSA-N
MW471.36 g/mol
LogP3.00
Rot. Bonds5

About 7-(4-bromo-1-ethylpyrazol-3-yl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

7-(4-bromo-1-ethylpyrazol-3-yl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19441230) has the molecular formula C20H23BrN8O and a molecular weight of 471.36 g/mol. Its IUPAC name is 7-(4-bromo-1-ethylpyrazol-3-yl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(4-bromo-1-ethylpyrazol-3-yl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19441230
Molecular FormulaC20H23BrN8O
Molecular Weight471.36 g/mol
Exact Mass470.12
IUPAC Name7-(4-bromo-1-ethylpyrazol-3-yl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1cc(Br)c(-c2ccnc3cc(C(=O)N(C)Cc4c(C)nn(C)c4C)nn23)n1
InChIInChI=1S/C20H23BrN8O/c1-6-28-11-15(21)19(25-28)17-7-8-22-18-9-16(24-29(17)18)20(30)26(4)10-14-12(2)23-27(5)13(14)3/h7-9,11H,6,10H2,1-5H3
InChIKeyZBSXTZSXZJCSAD-UHFFFAOYSA-N
XLogP3.00
TPSA86.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.36
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-(4-bromo-1-ethylpyrazol-3-yl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

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Related Compounds

7-(4-bromo-1-ethylpyrazol-3-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19441233
7-(4-bromo-1-ethylpyrazol-3-yl)-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468626
7-(4-bromo-1-ethylpyrazol-3-yl)-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468432
7-(4-bromo-1-ethylpyrazol-3-yl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468380
7-(4-bromo-1-ethylpyrazol-3-yl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468623
7-(4-bromo-1-ethylpyrazol-3-yl)-N-hexylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468377
7-(4-bromo-1-ethylpyrazol-3-yl)-N-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468573
7-(4-bromo-1-ethylpyrazol-3-yl)-N-(2,3,4,5,6-pentafluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468440
7-(4-bromo-1-ethylpyrazol-3-yl)-N-(2-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468405
7-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19441256
7-(4-bromo-1-ethylpyrazol-3-yl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468536
7-(4-bromo-1-ethylpyrazol-3-yl)-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468639

Frequently Asked Questions

What is the IUPAC name of 7-(4-bromo-1-ethylpyrazol-3-yl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-(4-bromo-1-ethylpyrazol-3-yl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19441230) is 7-(4-bromo-1-ethylpyrazol-3-yl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-(4-bromo-1-ethylpyrazol-3-yl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(4-bromo-1-ethylpyrazol-3-yl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCn1cc(Br)c(-c2ccnc3cc(C(=O)N(C)Cc4c(C)nn(C)c4C)nn23)n1.
What is the InChIKey of 7-(4-bromo-1-ethylpyrazol-3-yl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is ZBSXTZSXZJCSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN8O/c1-6-28-11-15(21)19(25-28)17-7-8-22-18-9-16(24-29(17)18)20(30)26(4)10-14-12(2)23-27(5)13(14)3/h7-9,11H,6,10H2,1-5H3.
What are the key properties of 7-(4-bromo-1-ethylpyrazol-3-yl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
7-(4-bromo-1-ethylpyrazol-3-yl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 471.36 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromo-1-ethylpyrazol-3-yl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19441230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).