3-[4-(dimethylamino)phenyl]-2-methyl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C20H19N5O — CID 177228663

IUPAC3-[4-(dimethylamino)phenyl]-2-methyl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1[nH]n2c(=O)cc(-c3cccnc3)nc2c1-c1ccc(N(C)C)cc1
InChIInChI=1S/C20H19N5O/c1-13-19(14-6-8-16(9-7-14)24(2)3)20-22-17(11-18(26)25(20)23-13)15-5-4-10-21-12-15/h4-12,23H,1-3H3
InChIKeyPKDBZUXTLZLDPC-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.13
Rot. Bonds3

About 3-[4-(dimethylamino)phenyl]-2-methyl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-[4-(dimethylamino)phenyl]-2-methyl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 177228663) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-2-methyl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-2-methyl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID177228663
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name3-[4-(dimethylamino)phenyl]-2-methyl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1[nH]n2c(=O)cc(-c3cccnc3)nc2c1-c1ccc(N(C)C)cc1
InChIInChI=1S/C20H19N5O/c1-13-19(14-6-8-16(9-7-14)24(2)3)20-22-17(11-18(26)25(20)23-13)15-5-4-10-21-12-15/h4-12,23H,1-3H3
InChIKeyPKDBZUXTLZLDPC-UHFFFAOYSA-N
XLogP3.13
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-phenyl-5-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46973660
5-(3-methoxyphenyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 17079174
2-methyl-5-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 123610819
5-[4-[(dimethylamino)methyl]-3-pyridinyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 177228615
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-5-(4-phenylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 171133939
3-(4-chlorophenyl)-5-(2-methoxy-3-pyridinyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 92606158
3-(4-methoxyphenyl)-2-methyl-5-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 17168369
5-(2H-benzotriazol-5-yl)-3-(4-methoxyphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 56854687
3-(4-methoxy-3-methylphenyl)-2-methyl-5-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 171140473
3-(4-fluorophenyl)-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70925446
5-(3-ethoxyphenyl)-3-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 171140472
3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 1091466

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-2-methyl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-2-methyl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 177228663) is 3-[4-(dimethylamino)phenyl]-2-methyl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-2-methyl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-2-methyl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1[nH]n2c(=O)cc(-c3cccnc3)nc2c1-c1ccc(N(C)C)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-2-methyl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is PKDBZUXTLZLDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-13-19(14-6-8-16(9-7-14)24(2)3)20-22-17(11-18(26)25(20)23-13)15-5-4-10-21-12-15/h4-12,23H,1-3H3.
What are the key properties of 3-[4-(dimethylamino)phenyl]-2-methyl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-[4-(dimethylamino)phenyl]-2-methyl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 345.41 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-2-methyl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 177228663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).