N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C17H18N4O3 — CID 19416871

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc3ncccn3n2)cc1OC
InChIInChI=1S/C17H18N4O3/c1-23-14-5-4-12(10-15(14)24-2)6-8-19-17(22)13-11-16-18-7-3-9-21(16)20-13/h3-5,7,9-11H,6,8H2,1-2H3,(H,19,22)
InChIKeyNDDACRAAMFPZSV-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.72
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19416871) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19416871
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc3ncccn3n2)cc1OC
InChIInChI=1S/C17H18N4O3/c1-23-14-5-4-12(10-15(14)24-2)6-8-19-17(22)13-11-16-18-7-3-9-21(16)20-13/h3-5,7,9-11H,6,8H2,1-2H3,(H,19,22)
InChIKeyNDDACRAAMFPZSV-UHFFFAOYSA-N
XLogP1.72
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 110372761
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082174
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-N-(2-methoxyethyl)pyridine-2,6-dicarboxamide
CID 109095683
5-(diethylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109285735
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267592
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277379
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrimidin-2-ylurea
CID 108891346
N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 110755852
6-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide;hydrochloride
CID 119998901
N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-8-carboxamide
CID 17401154
6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 1447920
N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19416871) is N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is COc1ccc(CCNC(=O)c2cc3ncccn3n2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is NDDACRAAMFPZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-23-14-5-4-12(10-15(14)24-2)6-8-19-17(22)13-11-16-18-7-3-9-21(16)20-13/h3-5,7,9-11H,6,8H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19416871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).