2-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide

C17H24N6O2 — CID 87044984

IUPAC2-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCc1nn2cccnc2c1C(=O)N1CCN(CC(=O)NC(C)C)CC1
InChIInChI=1S/C17H24N6O2/c1-12(2)19-14(24)11-21-7-9-22(10-8-21)17(25)15-13(3)20-23-6-4-5-18-16(15)23/h4-6,12H,7-11H2,1-3H3,(H,19,24)
InChIKeyITRWROCPCLWFSA-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.32
Rot. Bonds4

About 2-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide

2-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 87044984) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID87044984
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name2-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCc1nn2cccnc2c1C(=O)N1CCN(CC(=O)NC(C)C)CC1
InChIInChI=1S/C17H24N6O2/c1-12(2)19-14(24)11-21-7-9-22(10-8-21)17(25)15-13(3)20-23-6-4-5-18-16(15)23/h4-6,12H,7-11H2,1-3H3,(H,19,24)
InChIKeyITRWROCPCLWFSA-UHFFFAOYSA-N
XLogP0.32
TPSA82.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methylpiperidin-1-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 87009980
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 87044934
2-(4-chlorophenoxy)-1-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]ethanone
CID 55888174
[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 55819178
N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxamide
CID 125442093
1-[3-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 55966550
[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 55820590
oxalic acid;N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 651293
1-[3-fluoro-4-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 87045018
2-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 55519323
[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 55980091
[(3S,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 97026578

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide (CID 87044984) is 2-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide is Cc1nn2cccnc2c1C(=O)N1CCN(CC(=O)NC(C)C)CC1.
What is the InChIKey of 2-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is ITRWROCPCLWFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-12(2)19-14(24)11-21-7-9-22(10-8-21)17(25)15-13(3)20-23-6-4-5-18-16(15)23/h4-6,12H,7-11H2,1-3H3,(H,19,24).
What are the key properties of 2-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 344.42 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 87044984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).