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

C20H23BrN8O — CID 19441233

IUPAC7-(4-bromo-1-ethylpyrazol-3-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1cc(Br)c(-c2ccnc3cc(C(=O)N(C)Cc4cnn(CC)c4C)nn23)n1
InChIInChI=1S/C20H23BrN8O/c1-5-27-12-15(21)19(25-27)17-7-8-22-18-9-16(24-29(17)18)20(30)26(4)11-14-10-23-28(6-2)13(14)3/h7-10,12H,5-6,11H2,1-4H3
InChIKeyPHPWTIDMLDFKCO-UHFFFAOYSA-N
MW471.36 g/mol
LogP3.17
Rot. Bonds6

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

7-(4-bromo-1-ethylpyrazol-3-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19441233) 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-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(4-bromo-1-ethylpyrazol-3-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19441233
Molecular FormulaC20H23BrN8O
Molecular Weight471.36 g/mol
Exact Mass470.12
IUPAC Name7-(4-bromo-1-ethylpyrazol-3-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1cc(Br)c(-c2ccnc3cc(C(=O)N(C)Cc4cnn(CC)c4C)nn23)n1
InChIInChI=1S/C20H23BrN8O/c1-5-27-12-15(21)19(25-27)17-7-8-22-18-9-16(24-29(17)18)20(30)26(4)11-14-10-23-28(6-2)13(14)3/h7-10,12H,5-6,11H2,1-4H3
InChIKeyPHPWTIDMLDFKCO-UHFFFAOYSA-N
XLogP3.17
TPSA86.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.36
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
7-(4-bromo-1-ethylpyrazol-3-yl)-N-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468573
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-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-hexylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468377
7-(1-ethyl-5-methylpyrazol-4-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19441266
7-(1-ethyl-5-methylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19441267
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

Frequently Asked Questions

What is the IUPAC name of 7-(4-bromo-1-ethylpyrazol-3-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 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) is 7-(4-bromo-1-ethylpyrazol-3-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-(4-bromo-1-ethylpyrazol-3-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(4-bromo-1-ethylpyrazol-3-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide is CCn1cc(Br)c(-c2ccnc3cc(C(=O)N(C)Cc4cnn(CC)c4C)nn23)n1.
What is the InChIKey of 7-(4-bromo-1-ethylpyrazol-3-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is PHPWTIDMLDFKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN8O/c1-5-27-12-15(21)19(25-27)17-7-8-22-18-9-16(24-29(17)18)20(30)26(4)11-14-10-23-28(6-2)13(14)3/h7-10,12H,5-6,11H2,1-4H3.
What are the key properties of 7-(4-bromo-1-ethylpyrazol-3-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
7-(4-bromo-1-ethylpyrazol-3-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 471.36 g/mol, XLogP of 3.17, 6 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-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19441233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).