N-[[2-(dimethylamino)-4-pyridinyl]methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H20N6O — CID 55852521

IUPACN-[[2-(dimethylamino)-4-pyridinyl]methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)c1cc(CNC(=O)c2cnn3c(-c4ccccc4)ccnc23)ccn1
InChIInChI=1S/C21H20N6O/c1-26(2)19-12-15(8-10-22-19)13-24-21(28)17-14-25-27-18(9-11-23-20(17)27)16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3,(H,24,28)
InChIKeyHMEKNIPKTGNVEQ-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.79
Rot. Bonds5

About N-[[2-(dimethylamino)-4-pyridinyl]methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[[2-(dimethylamino)-4-pyridinyl]methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 55852521) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-4-pyridinyl]methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-4-pyridinyl]methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID55852521
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC NameN-[[2-(dimethylamino)-4-pyridinyl]methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)c1cc(CNC(=O)c2cnn3c(-c4ccccc4)ccnc23)ccn1
InChIInChI=1S/C21H20N6O/c1-26(2)19-12-15(8-10-22-19)13-24-21(28)17-14-25-27-18(9-11-23-20(17)27)16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3,(H,24,28)
InChIKeyHMEKNIPKTGNVEQ-UHFFFAOYSA-N
XLogP2.79
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-fluorophenyl)methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 24716902
N-[(3-carbamoylphenyl)methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 60506856
N-(2-hydroxypropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 78897388
N-[2-[cyclopentyl(methyl)amino]ethyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46974570
N-(2-hydroxy-2-phenylethyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 75403724
1-benzyl-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-phenylpyrazole-4-carboxamide
CID 55637417
7-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 42873313
N-[3-chloro-2-(dimethylamino)phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55972472
N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46074679
7-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 24716741
N-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46050163
7-(4-phenylphenyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 42855352

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-4-pyridinyl]methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[[2-(dimethylamino)-4-pyridinyl]methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 55852521) is N-[[2-(dimethylamino)-4-pyridinyl]methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[[2-(dimethylamino)-4-pyridinyl]methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[[2-(dimethylamino)-4-pyridinyl]methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C)c1cc(CNC(=O)c2cnn3c(-c4ccccc4)ccnc23)ccn1.
What is the InChIKey of N-[[2-(dimethylamino)-4-pyridinyl]methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HMEKNIPKTGNVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-26(2)19-12-15(8-10-22-19)13-24-21(28)17-14-25-27-18(9-11-23-20(17)27)16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3,(H,24,28).
What are the key properties of N-[[2-(dimethylamino)-4-pyridinyl]methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-4-pyridinyl]methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 55852521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).