N-prop-2-ynyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide

C15H17N5O — CID 134795962

IUPACN-prop-2-ynyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide
SMILESC#CCNC(=O)C1CCCN(c2ccnc3ccnn23)C1
InChIInChI=1S/C15H17N5O/c1-2-7-17-15(21)12-4-3-10-19(11-12)14-6-8-16-13-5-9-18-20(13)14/h1,5-6,8-9,12H,3-4,7,10-11H2,(H,17,21)
InChIKeyQCLSSAADWAIUNZ-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.70
Rot. Bonds3

About N-prop-2-ynyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide

N-prop-2-ynyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide (PubChem CID 134795962) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is N-prop-2-ynyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-prop-2-ynyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide
PubChem CID134795962
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC NameN-prop-2-ynyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide
SMILESC#CCNC(=O)C1CCCN(c2ccnc3ccnn23)C1
InChIInChI=1S/C15H17N5O/c1-2-7-17-15(21)12-4-3-10-19(11-12)14-6-8-16-13-5-9-18-20(13)14/h1,5-6,8-9,12H,3-4,7,10-11H2,(H,17,21)
InChIKeyQCLSSAADWAIUNZ-UHFFFAOYSA-N
XLogP0.70
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide?
The IUPAC name of N-prop-2-ynyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide (CID 134795962) is N-prop-2-ynyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-prop-2-ynyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide?
The canonical SMILES for N-prop-2-ynyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide is C#CCNC(=O)C1CCCN(c2ccnc3ccnn23)C1.
What is the InChIKey of N-prop-2-ynyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide?
The InChIKey is QCLSSAADWAIUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-2-7-17-15(21)12-4-3-10-19(11-12)14-6-8-16-13-5-9-18-20(13)14/h1,5-6,8-9,12H,3-4,7,10-11H2,(H,17,21).
What are the key properties of N-prop-2-ynyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide?
N-prop-2-ynyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide is sourced from PubChem (CID 134795962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).