7-(3,4-dimethylphenyl)-N-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H24N4O — CID 53109667

IUPAC7-(3,4-dimethylphenyl)-N-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-c2ccnc3c(C(=O)NCC(C)c4ccccc4)cnn23)cc1C
InChIInChI=1S/C24H24N4O/c1-16-9-10-20(13-17(16)2)22-11-12-25-23-21(15-27-28(22)23)24(29)26-14-18(3)19-7-5-4-6-8-19/h4-13,15,18H,14H2,1-3H3,(H,26,29)
InChIKeyGFNWLMQVBCSQQW-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.55
Rot. Bonds5

About 7-(3,4-dimethylphenyl)-N-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(3,4-dimethylphenyl)-N-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 53109667) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 7-(3,4-dimethylphenyl)-N-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(3,4-dimethylphenyl)-N-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID53109667
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name7-(3,4-dimethylphenyl)-N-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-c2ccnc3c(C(=O)NCC(C)c4ccccc4)cnn23)cc1C
InChIInChI=1S/C24H24N4O/c1-16-9-10-20(13-17(16)2)22-11-12-25-23-21(15-27-28(22)23)24(29)26-14-18(3)19-7-5-4-6-8-19/h4-13,15,18H,14H2,1-3H3,(H,26,29)
InChIKeyGFNWLMQVBCSQQW-UHFFFAOYSA-N
XLogP4.55
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethylphenyl)-N-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(3,4-dimethylphenyl)-N-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 53109667) is 7-(3,4-dimethylphenyl)-N-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(3,4-dimethylphenyl)-N-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(3,4-dimethylphenyl)-N-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-c2ccnc3c(C(=O)NCC(C)c4ccccc4)cnn23)cc1C.
What is the InChIKey of 7-(3,4-dimethylphenyl)-N-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GFNWLMQVBCSQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-16-9-10-20(13-17(16)2)22-11-12-25-23-21(15-27-28(22)23)24(29)26-14-18(3)19-7-5-4-6-8-19/h4-13,15,18H,14H2,1-3H3,(H,26,29).
What are the key properties of 7-(3,4-dimethylphenyl)-N-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(3,4-dimethylphenyl)-N-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethylphenyl)-N-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 53109667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).