2-methyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)propan-1-one

C14H19N5O — CID 110874047

IUPAC2-methyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)propan-1-one
SMILESCC(C)C(=O)N1CCN(c2ccnc3ccnn23)CC1
InChIInChI=1S/C14H19N5O/c1-11(2)14(20)18-9-7-17(8-10-18)13-4-5-15-12-3-6-16-19(12)13/h3-6,11H,7-10H2,1-2H3
InChIKeyZJURDUVCPHPWSC-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.03
Rot. Bonds2

About 2-methyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)propan-1-one

2-methyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)propan-1-one (PubChem CID 110874047) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-methyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)propan-1-one
PubChem CID110874047
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-methyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)propan-1-one
SMILESCC(C)C(=O)N1CCN(c2ccnc3ccnn23)CC1
InChIInChI=1S/C14H19N5O/c1-11(2)14(20)18-9-7-17(8-10-18)13-4-5-15-12-3-6-16-19(12)13/h3-6,11H,7-10H2,1-2H3
InChIKeyZJURDUVCPHPWSC-UHFFFAOYSA-N
XLogP1.03
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]propanamide
CID 71225600
1-(4-{1,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperazin-1-yl)prop-2-en-1-one
CID 122143996
nSMase2-IN-1
CID 168510320
N-pyrazolo[1,5-a]pyrimidin-3-ylacetamide
CID 172825317
N,N-dimethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-amine
CID 176142001
N-(1-(3-(4-methylpiperazin-1-yl)propyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pivalamide
CID 71226049
1-(4-Pyrimidin-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 45809829
N-ethyl-N-({3-[(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl]pyrazolo[1,5-a]pyrimidin-6-yl}methyl)ethanamine
CID 56715338
N-(pyrazolo[1,5-a]pyrimidin-6-yl)pivalamide
CID 91629099
1-pyrazolo[1,5-a]pyrimidin-7-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 134799114
1-[4-(1,6-Dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 172441400
1-[(3R)-3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]propan-1-one
CID 138753271

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)propan-1-one (CID 110874047) is 2-methyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)propan-1-one is CC(C)C(=O)N1CCN(c2ccnc3ccnn23)CC1.
What is the InChIKey of 2-methyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)propan-1-one?
The InChIKey is ZJURDUVCPHPWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-11(2)14(20)18-9-7-17(8-10-18)13-4-5-15-12-3-6-16-19(12)13/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 2-methyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)propan-1-one?
2-methyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)propan-1-one has a molecular weight of 273.34 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 110874047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).