N,N-dibenzyl-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C28H24N4O — CID 1103630

IUPACN,N-dibenzyl-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(-c2ccccc2)nc2cc(C(=O)N(Cc3ccccc3)Cc3ccccc3)nn12
InChIInChI=1S/C28H24N4O/c1-21-17-25(24-15-9-4-10-16-24)29-27-18-26(30-32(21)27)28(33)31(19-22-11-5-2-6-12-22)20-23-13-7-3-8-14-23/h2-18H,19-20H2,1H3
InChIKeyVUXAVTYNBSRLAE-UHFFFAOYSA-N
MW432.53 g/mol
LogP5.55
Rot. Bonds6

About N,N-dibenzyl-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide

N,N-dibenzyl-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1103630) has the molecular formula C28H24N4O and a molecular weight of 432.53 g/mol. Its IUPAC name is N,N-dibenzyl-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN,N-dibenzyl-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1103630
Molecular FormulaC28H24N4O
Molecular Weight432.53 g/mol
Exact Mass432.20
IUPAC NameN,N-dibenzyl-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(-c2ccccc2)nc2cc(C(=O)N(Cc3ccccc3)Cc3ccccc3)nn12
InChIInChI=1S/C28H24N4O/c1-21-17-25(24-15-9-4-10-16-24)29-27-18-26(30-32(21)27)28(33)31(19-22-11-5-2-6-12-22)20-23-13-7-3-8-14-23/h2-18H,19-20H2,1H3
InChIKeyVUXAVTYNBSRLAE-UHFFFAOYSA-N
XLogP5.55
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.53
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N,N-dibenzyl-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1103630) is N,N-dibenzyl-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N,N-dibenzyl-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N,N-dibenzyl-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(-c2ccccc2)nc2cc(C(=O)N(Cc3ccccc3)Cc3ccccc3)nn12.
What is the InChIKey of N,N-dibenzyl-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is VUXAVTYNBSRLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O/c1-21-17-25(24-15-9-4-10-16-24)29-27-18-26(30-32(21)27)28(33)31(19-22-11-5-2-6-12-22)20-23-13-7-3-8-14-23/h2-18H,19-20H2,1H3.
What are the key properties of N,N-dibenzyl-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
N,N-dibenzyl-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 432.53 g/mol, XLogP of 5.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1103630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).