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

C20H23BrN8O — CID 19441308

IUPACN-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-7-(1-ethyl-3-methylpyrazol-4-yl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1cc(-c2ccnc3c(C(=O)N(C)Cc4nn(CC)cc4Br)cnn23)c(C)n1
InChIInChI=1S/C20H23BrN8O/c1-5-27-10-15(13(3)24-27)18-7-8-22-19-14(9-23-29(18)19)20(30)26(4)12-17-16(21)11-28(6-2)25-17/h7-11H,5-6,12H2,1-4H3
InChIKeyDMEYOZBFBQXZGQ-UHFFFAOYSA-N
MW471.36 g/mol
LogP3.17
Rot. Bonds6

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

N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-7-(1-ethyl-3-methylpyrazol-4-yl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19441308) has the molecular formula C20H23BrN8O and a molecular weight of 471.36 g/mol. Its IUPAC name is N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-7-(1-ethyl-3-methylpyrazol-4-yl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-7-(1-ethyl-3-methylpyrazol-4-yl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19441308
Molecular FormulaC20H23BrN8O
Molecular Weight471.36 g/mol
Exact Mass470.12
IUPAC NameN-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-7-(1-ethyl-3-methylpyrazol-4-yl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1cc(-c2ccnc3c(C(=O)N(C)Cc4nn(CC)cc4Br)cnn23)c(C)n1
InChIInChI=1S/C20H23BrN8O/c1-5-27-10-15(13(3)24-27)18-7-8-22-19-14(9-23-29(18)19)20(30)26(4)12-17-16(21)11-28(6-2)25-17/h7-11H,5-6,12H2,1-4H3
InChIKeyDMEYOZBFBQXZGQ-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

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Related Compounds

N-ethyl-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416589
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19441319
4-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]butanoyl chloride
CID 19414820
7-(1-ethyl-3-methylpyrazol-4-yl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416490
7-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-(methoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416584
7-(1-ethyl-3-methylpyrazol-4-yl)-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416566
N-[3-(4-chloropyrazol-1-yl)propyl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416544
7-(1-ethyl-3-methylpyrazol-4-yl)-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414793
[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 19441871
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414772
7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 4774562
7-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416561

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-7-(1-ethyl-3-methylpyrazol-4-yl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-7-(1-ethyl-3-methylpyrazol-4-yl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19441308) is N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-7-(1-ethyl-3-methylpyrazol-4-yl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-7-(1-ethyl-3-methylpyrazol-4-yl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-7-(1-ethyl-3-methylpyrazol-4-yl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCn1cc(-c2ccnc3c(C(=O)N(C)Cc4nn(CC)cc4Br)cnn23)c(C)n1.
What is the InChIKey of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-7-(1-ethyl-3-methylpyrazol-4-yl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DMEYOZBFBQXZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN8O/c1-5-27-10-15(13(3)24-27)18-7-8-22-19-14(9-23-29(18)19)20(30)26(4)12-17-16(21)11-28(6-2)25-17/h7-11H,5-6,12H2,1-4H3.
What are the key properties of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-7-(1-ethyl-3-methylpyrazol-4-yl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-7-(1-ethyl-3-methylpyrazol-4-yl)-N-methylpyrazolo[1,5-a]pyrimidine-3-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 N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-7-(1-ethyl-3-methylpyrazol-4-yl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19441308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).