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

C17H26N6O3 — CID 159646006

IUPACN-ethyl-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methylpropanoic acid
SMILESCC(C)C(=O)O.CCNC(=O)c1cnn2ccc(N3CCNCC3)nc12
InChIInChI=1S/C13H18N6O.C4H8O2/c1-2-15-13(20)10-9-16-19-6-3-11(17-12(10)19)18-7-4-14-5-8-18;1-3(2)4(5)6/h3,6,9,14H,2,4-5,7-8H2,1H3,(H,15,20);3H,1-2H3,(H,5,6)
InChIKeyMQYUTZBERIMPMN-UHFFFAOYSA-N
MW362.43 g/mol
LogP0.62
Rot. Bonds4

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

N-ethyl-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methylpropanoic acid (PubChem CID 159646006) has the molecular formula C17H26N6O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-ethyl-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methylpropanoic acid.

Molecular Properties

Compound NameN-ethyl-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methylpropanoic acid
PubChem CID159646006
Molecular FormulaC17H26N6O3
Molecular Weight362.43 g/mol
Exact Mass362.21
IUPAC NameN-ethyl-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methylpropanoic acid
SMILESCC(C)C(=O)O.CCNC(=O)c1cnn2ccc(N3CCNCC3)nc12
InChIInChI=1S/C13H18N6O.C4H8O2/c1-2-15-13(20)10-9-16-19-6-3-11(17-12(10)19)18-7-4-14-5-8-18;1-3(2)4(5)6/h3,6,9,14H,2,4-5,7-8H2,1H3,(H,15,20);3H,1-2H3,(H,5,6)
InChIKeyMQYUTZBERIMPMN-UHFFFAOYSA-N
XLogP0.62
TPSA111.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-ethyl-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methylpropanoic acid
CID 162266155
N-(1,3-dimethylpyrazol-4-yl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 138727003
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
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
5-(1,4-diazepan-1-yl)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122516630
N-(4-bromothiophen-3-yl)-5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122516671
N-[3-(difluoromethyl)-1-[4-(methylcarbamoyl)phenyl]pyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 177055410
N-(2,2-difluoro-2-phosphanylethyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134386392
1-(5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone
CID 170379383
5-pyrrolidin-1-yl-N-[4-(triazol-1-yl)butan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142589408
1-[5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 158621438
ethyl 5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 122672896

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methylpropanoic acid?
The IUPAC name of N-ethyl-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methylpropanoic acid (CID 159646006) is N-ethyl-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methylpropanoic acid.
What is the SMILES notation for N-ethyl-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methylpropanoic acid?
The canonical SMILES for N-ethyl-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methylpropanoic acid is CC(C)C(=O)O.CCNC(=O)c1cnn2ccc(N3CCNCC3)nc12.
What is the InChIKey of N-ethyl-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methylpropanoic acid?
The InChIKey is MQYUTZBERIMPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O.C4H8O2/c1-2-15-13(20)10-9-16-19-6-3-11(17-12(10)19)18-7-4-14-5-8-18;1-3(2)4(5)6/h3,6,9,14H,2,4-5,7-8H2,1H3,(H,15,20);3H,1-2H3,(H,5,6).
What are the key properties of N-ethyl-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methylpropanoic acid?
N-ethyl-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methylpropanoic acid has a molecular weight of 362.43 g/mol, XLogP of 0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methylpropanoic acid is sourced from PubChem (CID 159646006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).