2,7-dimethyl-N-[2-(2-methylpropanoylamino)ethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide

C15H21N5O2 — CID 24666481

IUPAC2,7-dimethyl-N-[2-(2-methylpropanoylamino)ethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1cc2ncc(C(=O)NCCNC(=O)C(C)C)c(C)n2n1
InChIInChI=1S/C15H21N5O2/c1-9(2)14(21)16-5-6-17-15(22)12-8-18-13-7-10(3)19-20(13)11(12)4/h7-9H,5-6H2,1-4H3,(H,16,21)(H,17,22)
InChIKeyCMPUGNKHVNQWDC-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.85
Rot. Bonds5

About 2,7-dimethyl-N-[2-(2-methylpropanoylamino)ethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide

2,7-dimethyl-N-[2-(2-methylpropanoylamino)ethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 24666481) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 2,7-dimethyl-N-[2-(2-methylpropanoylamino)ethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,7-dimethyl-N-[2-(2-methylpropanoylamino)ethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID24666481
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name2,7-dimethyl-N-[2-(2-methylpropanoylamino)ethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1cc2ncc(C(=O)NCCNC(=O)C(C)C)c(C)n2n1
InChIInChI=1S/C15H21N5O2/c1-9(2)14(21)16-5-6-17-15(22)12-8-18-13-7-10(3)19-20(13)11(12)4/h7-9H,5-6H2,1-4H3,(H,16,21)(H,17,22)
InChIKeyCMPUGNKHVNQWDC-UHFFFAOYSA-N
XLogP0.85
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 60714222
2-[2-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119241897
N-butan-2-yl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 60714205
2,7-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 61003398
2,7-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 24641471
N-[2-(2,4-dimethylphenoxy)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 24641487
N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 125421805
N-[1-(hydroxymethyl)cyclopropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 115877516
N-(3-indol-1-ylpropyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 24641440
2,7-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 24641486
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 43072626
N-[1-(hydroxymethyl)cyclobutyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 115877997

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-N-[2-(2-methylpropanoylamino)ethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2,7-dimethyl-N-[2-(2-methylpropanoylamino)ethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 24666481) is 2,7-dimethyl-N-[2-(2-methylpropanoylamino)ethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2,7-dimethyl-N-[2-(2-methylpropanoylamino)ethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2,7-dimethyl-N-[2-(2-methylpropanoylamino)ethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1cc2ncc(C(=O)NCCNC(=O)C(C)C)c(C)n2n1.
What is the InChIKey of 2,7-dimethyl-N-[2-(2-methylpropanoylamino)ethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is CMPUGNKHVNQWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-9(2)14(21)16-5-6-17-15(22)12-8-18-13-7-10(3)19-20(13)11(12)4/h7-9H,5-6H2,1-4H3,(H,16,21)(H,17,22).
What are the key properties of 2,7-dimethyl-N-[2-(2-methylpropanoylamino)ethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
2,7-dimethyl-N-[2-(2-methylpropanoylamino)ethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-N-[2-(2-methylpropanoylamino)ethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 24666481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).