N-[2-hydroxy-1-(4-methylphenyl)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H20N4O2 — CID 171674046

IUPACN-[2-hydroxy-1-(4-methylphenyl)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(C(CO)NC(=O)c2cnn3c(C)cc(C)nc23)cc1
InChIInChI=1S/C18H20N4O2/c1-11-4-6-14(7-5-11)16(10-23)21-18(24)15-9-19-22-13(3)8-12(2)20-17(15)22/h4-9,16,23H,10H2,1-3H3,(H,21,24)
InChIKeyQVINPYXQBBKUPQ-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.12
Rot. Bonds4

About N-[2-hydroxy-1-(4-methylphenyl)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-hydroxy-1-(4-methylphenyl)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 171674046) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[2-hydroxy-1-(4-methylphenyl)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-1-(4-methylphenyl)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID171674046
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[2-hydroxy-1-(4-methylphenyl)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(C(CO)NC(=O)c2cnn3c(C)cc(C)nc23)cc1
InChIInChI=1S/C18H20N4O2/c1-11-4-6-14(7-5-11)16(10-23)21-18(24)15-9-19-22-13(3)8-12(2)20-17(15)22/h4-9,16,23H,10H2,1-3H3,(H,21,24)
InChIKeyQVINPYXQBBKUPQ-UHFFFAOYSA-N
XLogP2.12
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-butan-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1097804
2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-hydroxybutanoic acid
CID 61243482
N-[1-(3,4-difluorophenyl)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46535131
ethyl 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoate
CID 47494468
5,7-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110226468
N-(2-methoxyethoxy)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 79676509
2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]oxyacetic acid
CID 63913826
N-(2-amino-2-oxoethoxy)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 112550550
N-(4-hydroxy-2,2-dimethylbutyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 103825011
2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2-methylbutanoic acid
CID 79789809
6-methyl-N-[1-(4-methylphenyl)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 42927620
N-[(2,5-dimethylpyrazol-3-yl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 74239036

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-1-(4-methylphenyl)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-hydroxy-1-(4-methylphenyl)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 171674046) is N-[2-hydroxy-1-(4-methylphenyl)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-hydroxy-1-(4-methylphenyl)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-hydroxy-1-(4-methylphenyl)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(C(CO)NC(=O)c2cnn3c(C)cc(C)nc23)cc1.
What is the InChIKey of N-[2-hydroxy-1-(4-methylphenyl)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QVINPYXQBBKUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-11-4-6-14(7-5-11)16(10-23)21-18(24)15-9-19-22-13(3)8-12(2)20-17(15)22/h4-9,16,23H,10H2,1-3H3,(H,21,24).
What are the key properties of N-[2-hydroxy-1-(4-methylphenyl)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2-hydroxy-1-(4-methylphenyl)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-1-(4-methylphenyl)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 171674046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).