N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H21BrN6O — CID 19329969

IUPACN-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-c2ccnc3c(C(=O)NCCCn4cc(Br)c(C)n4)cnn23)cc1
InChIInChI=1S/C21H21BrN6O/c1-14-4-6-16(7-5-14)19-8-10-23-20-17(12-25-28(19)20)21(29)24-9-3-11-27-13-18(22)15(2)26-27/h4-8,10,12-13H,3,9,11H2,1-2H3,(H,24,29)
InChIKeyKPNKEUKXOFTBKW-UHFFFAOYSA-N
MW453.34 g/mol
LogP3.79
Rot. Bonds6

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

N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19329969) has the molecular formula C21H21BrN6O and a molecular weight of 453.34 g/mol. Its IUPAC name is N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19329969
Molecular FormulaC21H21BrN6O
Molecular Weight453.34 g/mol
Exact Mass452.10
IUPAC NameN-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-c2ccnc3c(C(=O)NCCCn4cc(Br)c(C)n4)cnn23)cc1
InChIInChI=1S/C21H21BrN6O/c1-14-4-6-16(7-5-14)19-8-10-23-20-17(12-25-28(19)20)21(29)24-9-3-11-27-13-18(22)15(2)26-27/h4-8,10,12-13H,3,9,11H2,1-2H3,(H,24,29)
InChIKeyKPNKEUKXOFTBKW-UHFFFAOYSA-N
XLogP3.79
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.34
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-(4-methylphenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19327901
7-(4-methylphenyl)-N-(2-sulfanylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440444
7-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440419
N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19288548
N-[3-(4-chloropyrazol-1-yl)propyl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416544
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzamide
CID 19329942
N-[1-(methoxymethyl)pyrazol-4-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19411087
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-7-(difluoromethyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19460043
methyl 2-[[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]acetate
CID 19440492
N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19408864
N-[3-(2-methylimidazol-1-yl)propyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55958474
N-(1,3-dimethylpyrazol-4-yl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19346262

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19329969) is N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-c2ccnc3c(C(=O)NCCCn4cc(Br)c(C)n4)cnn23)cc1.
What is the InChIKey of N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KPNKEUKXOFTBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN6O/c1-14-4-6-16(7-5-14)19-8-10-23-20-17(12-25-28(19)20)21(29)24-9-3-11-27-13-18(22)15(2)26-27/h4-8,10,12-13H,3,9,11H2,1-2H3,(H,24,29).
What are the key properties of N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 453.34 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19329969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).