N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C12H14N4O2 — CID 19414442

IUPACN-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cnn2cccnc12
InChIInChI=1S/C12H14N4O2/c17-12(14-7-9-3-1-6-18-9)10-8-15-16-5-2-4-13-11(10)16/h2,4-5,8-9H,1,3,6-7H2,(H,14,17)
InChIKeyMOXPYOPCGQXGLS-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.64
Rot. Bonds3

About N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19414442) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19414442
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cnn2cccnc12
InChIInChI=1S/C12H14N4O2/c17-12(14-7-9-3-1-6-18-9)10-8-15-16-5-2-4-13-11(10)16/h2,4-5,8-9H,1,3,6-7H2,(H,14,17)
InChIKeyMOXPYOPCGQXGLS-UHFFFAOYSA-N
XLogP0.64
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19414442) is N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NCC1CCCO1)c1cnn2cccnc12.
What is the InChIKey of N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MOXPYOPCGQXGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c17-12(14-7-9-3-1-6-18-9)10-8-15-16-5-2-4-13-11(10)16/h2,4-5,8-9H,1,3,6-7H2,(H,14,17).
What are the key properties of N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19414442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).