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

C20H23BrN8O — CID 19468536

IUPAC7-(4-bromo-1-ethylpyrazol-3-yl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1cc(Br)c(-c2ccnc3cc(C(=O)NC(C)c4cnn(CC)c4C)nn23)n1
InChIInChI=1S/C20H23BrN8O/c1-5-27-11-15(21)19(26-27)17-7-8-22-18-9-16(25-29(17)18)20(30)24-12(3)14-10-23-28(6-2)13(14)4/h7-12H,5-6H2,1-4H3,(H,24,30)
InChIKeyKSRLYZSVDBRKCU-UHFFFAOYSA-N
MW471.36 g/mol
LogP3.39
Rot. Bonds6

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

7-(4-bromo-1-ethylpyrazol-3-yl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19468536) 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-(1-ethyl-5-methylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(4-bromo-1-ethylpyrazol-3-yl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19468536
Molecular FormulaC20H23BrN8O
Molecular Weight471.36 g/mol
Exact Mass470.12
IUPAC Name7-(4-bromo-1-ethylpyrazol-3-yl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1cc(Br)c(-c2ccnc3cc(C(=O)NC(C)c4cnn(CC)c4C)nn23)n1
InChIInChI=1S/C20H23BrN8O/c1-5-27-11-15(21)19(26-27)17-7-8-22-18-9-16(25-29(17)18)20(30)24-12(3)14-10-23-28(6-2)13(14)4/h7-12H,5-6H2,1-4H3,(H,24,30)
InChIKeyKSRLYZSVDBRKCU-UHFFFAOYSA-N
XLogP3.39
TPSA94.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(4-bromo-1-ethylpyrazol-3-yl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 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) is 7-(4-bromo-1-ethylpyrazol-3-yl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-(4-bromo-1-ethylpyrazol-3-yl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(4-bromo-1-ethylpyrazol-3-yl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCn1cc(Br)c(-c2ccnc3cc(C(=O)NC(C)c4cnn(CC)c4C)nn23)n1.
What is the InChIKey of 7-(4-bromo-1-ethylpyrazol-3-yl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is KSRLYZSVDBRKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN8O/c1-5-27-11-15(21)19(26-27)17-7-8-22-18-9-16(25-29(17)18)20(30)24-12(3)14-10-23-28(6-2)13(14)4/h7-12H,5-6H2,1-4H3,(H,24,30).
What are the key properties of 7-(4-bromo-1-ethylpyrazol-3-yl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
7-(4-bromo-1-ethylpyrazol-3-yl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 471.36 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 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-(1-ethyl-5-methylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19468536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).