N-[2-(2,5-dimethylphenoxy)ethyl]-6-(2-hydroxyethyl)-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C20H24N4O3 — CID 50951919

IUPACN-[2-(2,5-dimethylphenoxy)ethyl]-6-(2-hydroxyethyl)-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccc(C)c(OCCN(C)C(=O)c2cc3ncc(CCO)cn3n2)c1
InChIInChI=1S/C20H24N4O3/c1-14-4-5-15(2)18(10-14)27-9-7-23(3)20(26)17-11-19-21-12-16(6-8-25)13-24(19)22-17/h4-5,10-13,25H,6-9H2,1-3H3
InChIKeyGETNMSSYNPCSCH-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.03
Rot. Bonds7

About N-[2-(2,5-dimethylphenoxy)ethyl]-6-(2-hydroxyethyl)-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[2-(2,5-dimethylphenoxy)ethyl]-6-(2-hydroxyethyl)-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 50951919) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[2-(2,5-dimethylphenoxy)ethyl]-6-(2-hydroxyethyl)-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylphenoxy)ethyl]-6-(2-hydroxyethyl)-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID50951919
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-[2-(2,5-dimethylphenoxy)ethyl]-6-(2-hydroxyethyl)-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccc(C)c(OCCN(C)C(=O)c2cc3ncc(CCO)cn3n2)c1
InChIInChI=1S/C20H24N4O3/c1-14-4-5-15(2)18(10-14)27-9-7-23(3)20(26)17-11-19-21-12-16(6-8-25)13-24(19)22-17/h4-5,10-13,25H,6-9H2,1-3H3
InChIKeyGETNMSSYNPCSCH-UHFFFAOYSA-N
XLogP2.03
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,5-dimethylphenoxy)-N,N-dimethylpropanamide
CID 60637180
N-[2-(2,5-dimethylphenoxy)ethyl]-N-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide
CID 165425677
3-(2,5-dimethylphenoxy)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
CID 61039897
3-[2-(2,5-dimethylphenoxy)ethyl-propan-2-ylamino]propan-1-ol
CID 62022557
5-[(2,5-dimethylphenoxy)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 26315290
6-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 155985791
N-[3-(dimethylamino)propyl]-2-(2,5-dimethylphenoxy)acetamide;hydrochloride
CID 163329160
N,1-dimethyl-N-[2-(2-methylphenoxy)ethyl]-6-oxopyridazine-3-carboxamide
CID 51241769
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(2,5-dimethylphenoxy)ethyl]-N-methylacetamide
CID 46990434
3-(2,5-dimethylphenoxy)-N-(5-hydroxypentyl)propanamide
CID 107318602
methyl 3-[3-(2,5-dimethylphenoxy)propanoyl-methylamino]propanoate
CID 61243938
2-[5-(2,5-dimethylphenoxy)pentanoyl-methylamino]acetic acid
CID 119172218

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylphenoxy)ethyl]-6-(2-hydroxyethyl)-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[2-(2,5-dimethylphenoxy)ethyl]-6-(2-hydroxyethyl)-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 50951919) is N-[2-(2,5-dimethylphenoxy)ethyl]-6-(2-hydroxyethyl)-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[2-(2,5-dimethylphenoxy)ethyl]-6-(2-hydroxyethyl)-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[2-(2,5-dimethylphenoxy)ethyl]-6-(2-hydroxyethyl)-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccc(C)c(OCCN(C)C(=O)c2cc3ncc(CCO)cn3n2)c1.
What is the InChIKey of N-[2-(2,5-dimethylphenoxy)ethyl]-6-(2-hydroxyethyl)-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is GETNMSSYNPCSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-14-4-5-15(2)18(10-14)27-9-7-23(3)20(26)17-11-19-21-12-16(6-8-25)13-24(19)22-17/h4-5,10-13,25H,6-9H2,1-3H3.
What are the key properties of N-[2-(2,5-dimethylphenoxy)ethyl]-6-(2-hydroxyethyl)-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[2-(2,5-dimethylphenoxy)ethyl]-6-(2-hydroxyethyl)-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylphenoxy)ethyl]-6-(2-hydroxyethyl)-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 50951919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).