N-(4-ethoxyphenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide

C16H20N4O2 — CID 20929114

IUPACN-(4-ethoxyphenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCCn3nc(C)cc32)cc1
InChIInChI=1S/C16H20N4O2/c1-3-22-14-7-5-13(6-8-14)17-16(21)19-9-4-10-20-15(19)11-12(2)18-20/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,21)
InChIKeySHHNMHQFUNORGI-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.03
Rot. Bonds3

About N-(4-ethoxyphenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide

N-(4-ethoxyphenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide (PubChem CID 20929114) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide
PubChem CID20929114
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-(4-ethoxyphenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCCn3nc(C)cc32)cc1
InChIInChI=1S/C16H20N4O2/c1-3-22-14-7-5-13(6-8-14)17-16(21)19-9-4-10-20-15(19)11-12(2)18-20/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,21)
InChIKeySHHNMHQFUNORGI-UHFFFAOYSA-N
XLogP3.03
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide (CID 20929114) is N-(4-ethoxyphenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide is CCOc1ccc(NC(=O)N2CCCn3nc(C)cc32)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide?
The InChIKey is SHHNMHQFUNORGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-3-22-14-7-5-13(6-8-14)17-16(21)19-9-4-10-20-15(19)11-12(2)18-20/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,21).
What are the key properties of N-(4-ethoxyphenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide?
N-(4-ethoxyphenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide is sourced from PubChem (CID 20929114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).