N-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methylpropanoic acid

C16H24N6O3 — CID 162266155

IUPACN-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methylpropanoic acid
SMILESCC(C)C(=O)O.CNC(=O)c1cnn2ccc(N3CCNCC3)nc12
InChIInChI=1S/C12H16N6O.C4H8O2/c1-13-12(19)9-8-15-18-5-2-10(16-11(9)18)17-6-3-14-4-7-17;1-3(2)4(5)6/h2,5,8,14H,3-4,6-7H2,1H3,(H,13,19);3H,1-2H3,(H,5,6)
InChIKeyZZXVXOHWGFNEBB-UHFFFAOYSA-N
MW348.41 g/mol
LogP0.23
Rot. Bonds3

About N-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methylpropanoic acid

N-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methylpropanoic acid (PubChem CID 162266155) has the molecular formula C16H24N6O3 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methylpropanoic acid.

Molecular Properties

Compound NameN-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methylpropanoic acid
PubChem CID162266155
Molecular FormulaC16H24N6O3
Molecular Weight348.41 g/mol
Exact Mass348.19
IUPAC NameN-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methylpropanoic acid
SMILESCC(C)C(=O)O.CNC(=O)c1cnn2ccc(N3CCNCC3)nc12
InChIInChI=1S/C12H16N6O.C4H8O2/c1-13-12(19)9-8-15-18-5-2-10(16-11(9)18)17-6-3-14-4-7-17;1-3(2)4(5)6/h2,5,8,14H,3-4,6-7H2,1H3,(H,13,19);3H,1-2H3,(H,5,6)
InChIKeyZZXVXOHWGFNEBB-UHFFFAOYSA-N
XLogP0.23
TPSA111.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methylpropanoic acid
CID 159646006
N-[3-(difluoromethyl)-1-[4-(methylcarbamoyl)phenyl]pyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 177055410
N-(1,3-dimethylpyrazol-4-yl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 138727003
5-(1,4-diazepan-1-yl)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122516630
2-fluoropropanoic acid;5-piperazin-1-yl-N-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 145153258
N-(4-bromothiophen-3-yl)-5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122516671
3,3-difluorobutan-2-one;5-piperazin-1-yl-N-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 145153138
1-(5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone
CID 170379383
1-[5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 158621438
5-pyrrolidin-1-yl-N-[4-(triazol-1-yl)butan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142589408
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155274061
N-[5-(difluoromethyl)-1H-pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146599617

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methylpropanoic acid?
The IUPAC name of N-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methylpropanoic acid (CID 162266155) is N-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methylpropanoic acid.
What is the SMILES notation for N-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methylpropanoic acid?
The canonical SMILES for N-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methylpropanoic acid is CC(C)C(=O)O.CNC(=O)c1cnn2ccc(N3CCNCC3)nc12.
What is the InChIKey of N-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methylpropanoic acid?
The InChIKey is ZZXVXOHWGFNEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O.C4H8O2/c1-13-12(19)9-8-15-18-5-2-10(16-11(9)18)17-6-3-14-4-7-17;1-3(2)4(5)6/h2,5,8,14H,3-4,6-7H2,1H3,(H,13,19);3H,1-2H3,(H,5,6).
What are the key properties of N-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methylpropanoic acid?
N-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methylpropanoic acid has a molecular weight of 348.41 g/mol, XLogP of 0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methylpropanoic acid is sourced from PubChem (CID 162266155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).