N-[4-(diethylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H19N5O — CID 19414447

IUPACN-[4-(diethylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cnn3cccnc23)cc1
InChIInChI=1S/C17H19N5O/c1-3-21(4-2)14-8-6-13(7-9-14)20-17(23)15-12-19-22-11-5-10-18-16(15)22/h5-12H,3-4H2,1-2H3,(H,20,23)
InChIKeyYUNNUHAQEXSIAD-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.83
Rot. Bonds5

About N-[4-(diethylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[4-(diethylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19414447) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19414447
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-[4-(diethylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cnn3cccnc23)cc1
InChIInChI=1S/C17H19N5O/c1-3-21(4-2)14-8-6-13(7-9-14)20-17(23)15-12-19-22-11-5-10-18-16(15)22/h5-12H,3-4H2,1-2H3,(H,20,23)
InChIKeyYUNNUHAQEXSIAD-UHFFFAOYSA-N
XLogP2.83
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1256529
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146125081
N-(3-acetylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4151653
N-[4-(diethylamino)phenyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440362
dimethyl 5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)benzene-1,3-dicarboxylate
CID 5112652
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146123159
ethane;1-pyrazolo[1,5-a]pyrimidin-3-ylethanone
CID 91104664
N-[4-(diethylamino)phenyl]-1-methyl-5-phenylpyrazole-4-carboxamide
CID 155551859
N-[2-(2-ethylphenyl)-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70497680
N-(2-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58056308
N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1251288
N-[4-(diethylamino)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 134036419

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19414447) is N-[4-(diethylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN(CC)c1ccc(NC(=O)c2cnn3cccnc23)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YUNNUHAQEXSIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-3-21(4-2)14-8-6-13(7-9-14)20-17(23)15-12-19-22-11-5-10-18-16(15)22/h5-12H,3-4H2,1-2H3,(H,20,23).
What are the key properties of N-[4-(diethylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[4-(diethylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19414447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).