N-butyl-5-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide

C24H24N4O2 — CID 42877537

IUPACN-butyl-5-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCCCCNC(=O)c1cc(-c2ccc(OC)cc2)nc2cc(-c3ccccc3)nn12
InChIInChI=1S/C24H24N4O2/c1-3-4-14-25-24(29)22-15-20(18-10-12-19(30-2)13-11-18)26-23-16-21(27-28(22)23)17-8-6-5-7-9-17/h5-13,15-16H,3-4,14H2,1-2H3,(H,25,29)
InChIKeyLEROHWDWJDWXLV-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.60
Rot. Bonds7

About N-butyl-5-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide

N-butyl-5-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 42877537) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-butyl-5-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-butyl-5-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID42877537
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC NameN-butyl-5-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCCCCNC(=O)c1cc(-c2ccc(OC)cc2)nc2cc(-c3ccccc3)nn12
InChIInChI=1S/C24H24N4O2/c1-3-4-14-25-24(29)22-15-20(18-10-12-19(30-2)13-11-18)26-23-16-21(27-28(22)23)17-8-6-5-7-9-17/h5-13,15-16H,3-4,14H2,1-2H3,(H,25,29)
InChIKeyLEROHWDWJDWXLV-UHFFFAOYSA-N
XLogP4.60
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-5-(3-methoxyphenyl)-N-pentylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46080003
2,5-diphenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079173
N-butyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 42755291
N-butyl-1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 3993802
2-(4-chlorophenyl)-N-ethoxy-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877668
N-[(2S)-butan-2-yl]-2,5-diphenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 93008842
N-ethoxy-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877528
2-(4-chlorophenyl)-5-(2-methoxyphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46170554
2-(4-chlorophenyl)-5-(2-fluorophenyl)-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877638
2-[[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol
CID 6487768
2-tert-butyl-5-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46170481
N-tert-butyl-2-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46080284

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of N-butyl-5-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 42877537) is N-butyl-5-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for N-butyl-5-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-butyl-5-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide is CCCCNC(=O)c1cc(-c2ccc(OC)cc2)nc2cc(-c3ccccc3)nn12.
What is the InChIKey of N-butyl-5-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is LEROHWDWJDWXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-3-4-14-25-24(29)22-15-20(18-10-12-19(30-2)13-11-18)26-23-16-21(27-28(22)23)17-8-6-5-7-9-17/h5-13,15-16H,3-4,14H2,1-2H3,(H,25,29).
What are the key properties of N-butyl-5-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
N-butyl-5-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 42877537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).