N-[(1R)-1-(5-methylfuran-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C14H14N4O2 — CID 94001412

IUPACN-[(1R)-1-(5-methylfuran-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc([C@@H](C)NC(=O)c2cnn3cccnc23)o1
InChIInChI=1S/C14H14N4O2/c1-9-4-5-12(20-9)10(2)17-14(19)11-8-16-18-7-3-6-15-13(11)18/h3-8,10H,1-2H3,(H,17,19)/t10-/m1/s1
InChIKeyREKOYRXCFXOBAY-SNVBAGLBSA-N
MW270.29 g/mol
LogP2.12
Rot. Bonds3

About N-[(1R)-1-(5-methylfuran-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1R)-1-(5-methylfuran-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 94001412) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-[(1R)-1-(5-methylfuran-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(5-methylfuran-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID94001412
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC NameN-[(1R)-1-(5-methylfuran-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc([C@@H](C)NC(=O)c2cnn3cccnc23)o1
InChIInChI=1S/C14H14N4O2/c1-9-4-5-12(20-9)10(2)17-14(19)11-8-16-18-7-3-6-15-13(11)18/h3-8,10H,1-2H3,(H,17,19)/t10-/m1/s1
InChIKeyREKOYRXCFXOBAY-SNVBAGLBSA-N
XLogP2.12
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(5-methylfuran-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1R)-1-(5-methylfuran-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 94001412) is N-[(1R)-1-(5-methylfuran-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(5-methylfuran-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(5-methylfuran-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc([C@@H](C)NC(=O)c2cnn3cccnc23)o1.
What is the InChIKey of N-[(1R)-1-(5-methylfuran-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is REKOYRXCFXOBAY-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-9-4-5-12(20-9)10(2)17-14(19)11-8-16-18-7-3-6-15-13(11)18/h3-8,10H,1-2H3,(H,17,19)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(5-methylfuran-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1R)-1-(5-methylfuran-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(5-methylfuran-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 94001412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).