7-(4-phenylphenyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H26N4O — CID 42855352

IUPAC7-(4-phenylphenyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCN(CCC)C(=O)c1cnn2c(-c3ccc(-c4ccccc4)cc3)ccnc12
InChIInChI=1S/C25H26N4O/c1-3-16-28(17-4-2)25(30)22-18-27-29-23(14-15-26-24(22)29)21-12-10-20(11-13-21)19-8-6-5-7-9-19/h5-15,18H,3-4,16-17H2,1-2H3
InChIKeyVRGJMIAQCDFGRH-UHFFFAOYSA-N
MW398.51 g/mol
LogP5.33
Rot. Bonds7

About 7-(4-phenylphenyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(4-phenylphenyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 42855352) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 7-(4-phenylphenyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(4-phenylphenyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID42855352
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name7-(4-phenylphenyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCN(CCC)C(=O)c1cnn2c(-c3ccc(-c4ccccc4)cc3)ccnc12
InChIInChI=1S/C25H26N4O/c1-3-16-28(17-4-2)25(30)22-18-27-29-23(14-15-26-24(22)29)21-12-10-20(11-13-21)19-8-6-5-7-9-19/h5-15,18H,3-4,16-17H2,1-2H3
InChIKeyVRGJMIAQCDFGRH-UHFFFAOYSA-N
XLogP5.33
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-phenylphenyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(4-phenylphenyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 42855352) is 7-(4-phenylphenyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(4-phenylphenyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(4-phenylphenyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCCN(CCC)C(=O)c1cnn2c(-c3ccc(-c4ccccc4)cc3)ccnc12.
What is the InChIKey of 7-(4-phenylphenyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VRGJMIAQCDFGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-3-16-28(17-4-2)25(30)22-18-27-29-23(14-15-26-24(22)29)21-12-10-20(11-13-21)19-8-6-5-7-9-19/h5-15,18H,3-4,16-17H2,1-2H3.
What are the key properties of 7-(4-phenylphenyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(4-phenylphenyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 5.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-phenylphenyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 42855352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).