5,7-dimethyl-N-(2-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H21N5O — CID 39112162

IUPAC5,7-dimethyl-N-(2-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)Nc3ccccc3N3CCCC3)c2n1
InChIInChI=1S/C19H21N5O/c1-13-11-14(2)24-18(21-13)15(12-20-24)19(25)22-16-7-3-4-8-17(16)23-9-5-6-10-23/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H,22,25)
InChIKeySIRNCRFODUMXNI-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.20
Rot. Bonds3

About 5,7-dimethyl-N-(2-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5,7-dimethyl-N-(2-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 39112162) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 5,7-dimethyl-N-(2-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-(2-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID39112162
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name5,7-dimethyl-N-(2-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)Nc3ccccc3N3CCCC3)c2n1
InChIInChI=1S/C19H21N5O/c1-13-11-14(2)24-18(21-13)15(12-20-24)19(25)22-16-7-3-4-8-17(16)23-9-5-6-10-23/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H,22,25)
InChIKeySIRNCRFODUMXNI-UHFFFAOYSA-N
XLogP3.20
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 43621544
N-(4-anilinophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166204350
3,5-dimethyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 7492197
N-[2-(azepan-1-yl)phenyl]benzamide
CID 24652732
N-(2-chlorophenyl)-2-[4-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide
CID 39624781
N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 30838933
N-[(2R)-butan-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1097804
2-iodo-N-(2-piperidin-1-ylphenyl)benzamide
CID 1308785
2-methyl-5-methylsulfanyl-N-(2-piperidin-1-ylphenyl)benzamide
CID 37172830
3,4-dichloro-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 960458
1-methyl-N-(2-pyrrolidin-1-ylphenyl)indole-3-carboxamide
CID 35358555
5,7-dimethyl-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 20952848

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-(2-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5,7-dimethyl-N-(2-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 39112162) is 5,7-dimethyl-N-(2-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5,7-dimethyl-N-(2-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-(2-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C)n2ncc(C(=O)Nc3ccccc3N3CCCC3)c2n1.
What is the InChIKey of 5,7-dimethyl-N-(2-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SIRNCRFODUMXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-13-11-14(2)24-18(21-13)15(12-20-24)19(25)22-16-7-3-4-8-17(16)23-9-5-6-10-23/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H,22,25).
What are the key properties of 5,7-dimethyl-N-(2-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5,7-dimethyl-N-(2-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-(2-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 39112162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).