N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H25N5O2 — CID 56511044

IUPACN-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1cnn2c(-c3ccccc3)ccnc12
InChIInChI=1S/C25H25N5O2/c1-4-29(17-18-10-12-20(13-11-18)24(31)28(2)3)25(32)21-16-27-30-22(14-15-26-23(21)30)19-8-6-5-7-9-19/h5-16H,4,17H2,1-3H3
InChIKeyAHBVMDZBALNTFZ-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.76
Rot. Bonds6

About N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 56511044) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID56511044
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC NameN-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1cnn2c(-c3ccccc3)ccnc12
InChIInChI=1S/C25H25N5O2/c1-4-29(17-18-10-12-20(13-11-18)24(31)28(2)3)25(32)21-16-27-30-22(14-15-26-23(21)30)19-8-6-5-7-9-19/h5-16H,4,17H2,1-3H3
InChIKeyAHBVMDZBALNTFZ-UHFFFAOYSA-N
XLogP3.76
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 56511044) is N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1cnn2c(-c3ccccc3)ccnc12.
What is the InChIKey of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is AHBVMDZBALNTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-4-29(17-18-10-12-20(13-11-18)24(31)28(2)3)25(32)21-16-27-30-22(14-15-26-23(21)30)19-8-6-5-7-9-19/h5-16H,4,17H2,1-3H3.
What are the key properties of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 56511044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).