N-[2-(2,4-dimethylphenoxy)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C19H22N4O2 — CID 24641487

IUPACN-[2-(2,4-dimethylphenoxy)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1ccc(OCCNC(=O)c2cnc3cc(C)nn3c2C)c(C)c1
InChIInChI=1S/C19H22N4O2/c1-12-5-6-17(13(2)9-12)25-8-7-20-19(24)16-11-21-18-10-14(3)22-23(18)15(16)4/h5-6,9-11H,7-8H2,1-4H3,(H,20,24)
InChIKeyZARGQPVPMQEQDM-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.77
Rot. Bonds5

About N-[2-(2,4-dimethylphenoxy)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide

N-[2-(2,4-dimethylphenoxy)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 24641487) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[2-(2,4-dimethylphenoxy)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethylphenoxy)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID24641487
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[2-(2,4-dimethylphenoxy)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1ccc(OCCNC(=O)c2cnc3cc(C)nn3c2C)c(C)c1
InChIInChI=1S/C19H22N4O2/c1-12-5-6-17(13(2)9-12)25-8-7-20-19(24)16-11-21-18-10-14(3)22-23(18)15(16)4/h5-6,9-11H,7-8H2,1-4H3,(H,20,24)
InChIKeyZARGQPVPMQEQDM-UHFFFAOYSA-N
XLogP2.77
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119241897
N-[2-(2,4-dimethylphenoxy)ethyl]-2-hydroxybenzamide
CID 31448668
2,7-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 24641471
2,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 60714222
2,7-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 24641486
4-chloro-N-[2-(2,4-dimethylphenoxy)ethyl]-2-fluorobenzamide
CID 8531985
4-bromo-N-[2-(2,4-dimethylphenoxy)ethyl]-2-fluorobenzamide
CID 8531936
N-[3-[2-(2,4-dimethylphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 8531999
N-(3-indol-1-ylpropyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 24641440
N-butan-2-yl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 60714205
1-[2-(dimethylamino)ethyl]-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973611
N-[2-[2-(2,4-dimethylphenoxy)ethylcarbamoylamino]ethyl]benzamide
CID 36962711

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethylphenoxy)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(2,4-dimethylphenoxy)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 24641487) is N-[2-(2,4-dimethylphenoxy)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(2,4-dimethylphenoxy)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(2,4-dimethylphenoxy)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1ccc(OCCNC(=O)c2cnc3cc(C)nn3c2C)c(C)c1.
What is the InChIKey of N-[2-(2,4-dimethylphenoxy)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is ZARGQPVPMQEQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-12-5-6-17(13(2)9-12)25-8-7-20-19(24)16-11-21-18-10-14(3)22-23(18)15(16)4/h5-6,9-11H,7-8H2,1-4H3,(H,20,24).
What are the key properties of N-[2-(2,4-dimethylphenoxy)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-[2-(2,4-dimethylphenoxy)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethylphenoxy)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 24641487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).