7-methyl-N-(2-phenoxyethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

C25H26N4O2 — CID 44580008

IUPAC7-methyl-N-(2-phenoxyethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCCOc2ccccc2)cnc2c(-c3ccc(C(C)C)cc3)cnn12
InChIInChI=1S/C25H26N4O2/c1-17(2)19-9-11-20(12-10-19)23-16-28-29-18(3)22(15-27-24(23)29)25(30)26-13-14-31-21-7-5-4-6-8-21/h4-12,15-17H,13-14H2,1-3H3,(H,26,30)
InChIKeyUGGSFOBFUBTYAP-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.64
Rot. Bonds7

About 7-methyl-N-(2-phenoxyethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

7-methyl-N-(2-phenoxyethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 44580008) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 7-methyl-N-(2-phenoxyethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-methyl-N-(2-phenoxyethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID44580008
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name7-methyl-N-(2-phenoxyethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCCOc2ccccc2)cnc2c(-c3ccc(C(C)C)cc3)cnn12
InChIInChI=1S/C25H26N4O2/c1-17(2)19-9-11-20(12-10-19)23-16-28-29-18(3)22(15-27-24(23)29)25(30)26-13-14-31-21-7-5-4-6-8-21/h4-12,15-17H,13-14H2,1-3H3,(H,26,30)
InChIKeyUGGSFOBFUBTYAP-UHFFFAOYSA-N
XLogP4.64
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.64
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

N-[2-(2-fluorophenoxy)ethyl]-7-methyl-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 44579646
7-methyl-N-(2-phenylethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 57387345
7-methyl-N-[(2R)-1-phenoxypropan-2-yl]-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 25101223
3-(3-chlorophenyl)-N-(3,3-diphenylpropyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 46084720
2-bromo-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide
CID 113100328
N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 43865296
9-methyl-4-oxo-N-[2-(4-phenylphenoxy)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 46976398
3-(4-fluorophenyl)-N-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 43865277
1-benzyl-5-ethyl-N-(2-phenoxyethyl)pyrazole-4-carboxamide
CID 78873047
2-hydroxy-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide
CID 94687173
N-[2-(4-propan-2-ylphenoxy)ethyl]-3-pyrrolidin-1-ylpyridine-4-carboxamide
CID 167775993
2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-propan-2-ylphenoxy)ethyl]pyrrole-3-carboxamide
CID 112829749

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(2-phenoxyethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-methyl-N-(2-phenoxyethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 44580008) is 7-methyl-N-(2-phenoxyethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-methyl-N-(2-phenoxyethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-methyl-N-(2-phenoxyethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1c(C(=O)NCCOc2ccccc2)cnc2c(-c3ccc(C(C)C)cc3)cnn12.
What is the InChIKey of 7-methyl-N-(2-phenoxyethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is UGGSFOBFUBTYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-17(2)19-9-11-20(12-10-19)23-16-28-29-18(3)22(15-27-24(23)29)25(30)26-13-14-31-21-7-5-4-6-8-21/h4-12,15-17H,13-14H2,1-3H3,(H,26,30).
What are the key properties of 7-methyl-N-(2-phenoxyethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
7-methyl-N-(2-phenoxyethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(2-phenoxyethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 44580008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).