N-methyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperazine-2-carboxamide

C12H16N6O — CID 115372790

IUPACN-methyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperazine-2-carboxamide
SMILESCNC(=O)C1CNCCN1c1ccn2nccc2n1
InChIInChI=1S/C12H16N6O/c1-13-12(19)9-8-14-5-7-17(9)10-3-6-18-11(16-10)2-4-15-18/h2-4,6,9,14H,5,7-8H2,1H3,(H,13,19)
InChIKeyYOENQDBUNKMTDZ-UHFFFAOYSA-N
MW260.30 g/mol
LogP-0.75
Rot. Bonds2

About N-methyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperazine-2-carboxamide

N-methyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperazine-2-carboxamide (PubChem CID 115372790) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is N-methyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperazine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperazine-2-carboxamide
PubChem CID115372790
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC NameN-methyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperazine-2-carboxamide
SMILESCNC(=O)C1CNCCN1c1ccn2nccc2n1
InChIInChI=1S/C12H16N6O/c1-13-12(19)9-8-14-5-7-17(9)10-3-6-18-11(16-10)2-4-15-18/h2-4,6,9,14H,5,7-8H2,1H3,(H,13,19)
InChIKeyYOENQDBUNKMTDZ-UHFFFAOYSA-N
XLogP-0.75
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperazine-2-carboxamide?
The IUPAC name of N-methyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperazine-2-carboxamide (CID 115372790) is N-methyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperazine-2-carboxamide.
What is the SMILES notation for N-methyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperazine-2-carboxamide?
The canonical SMILES for N-methyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperazine-2-carboxamide is CNC(=O)C1CNCCN1c1ccn2nccc2n1.
What is the InChIKey of N-methyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperazine-2-carboxamide?
The InChIKey is YOENQDBUNKMTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-13-12(19)9-8-14-5-7-17(9)10-3-6-18-11(16-10)2-4-15-18/h2-4,6,9,14H,5,7-8H2,1H3,(H,13,19).
What are the key properties of N-methyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperazine-2-carboxamide?
N-methyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperazine-2-carboxamide has a molecular weight of 260.30 g/mol, XLogP of -0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperazine-2-carboxamide is sourced from PubChem (CID 115372790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).