N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]cyclopentanecarboxamide

C13H19N3O2 — CID 97428015

IUPACN-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]cyclopentanecarboxamide
SMILESO=C(Nc1cnn([C@@H]2CCOC2)c1)C1CCCC1
InChIInChI=1S/C13H19N3O2/c17-13(10-3-1-2-4-10)15-11-7-14-16(8-11)12-5-6-18-9-12/h7-8,10,12H,1-6,9H2,(H,15,17)/t12-/m1/s1
InChIKeyYIWQEMWTYMCWGM-GFCCVEGCSA-N
MW249.31 g/mol
LogP1.97
Rot. Bonds3

About N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]cyclopentanecarboxamide

N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]cyclopentanecarboxamide (PubChem CID 97428015) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]cyclopentanecarboxamide
PubChem CID97428015
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]cyclopentanecarboxamide
SMILESO=C(Nc1cnn([C@@H]2CCOC2)c1)C1CCCC1
InChIInChI=1S/C13H19N3O2/c17-13(10-3-1-2-4-10)15-11-7-14-16(8-11)12-5-6-18-9-12/h7-8,10,12H,1-6,9H2,(H,15,17)/t12-/m1/s1
InChIKeyYIWQEMWTYMCWGM-GFCCVEGCSA-N
XLogP1.97
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]cyclopentanecarboxamide?
The IUPAC name of N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]cyclopentanecarboxamide (CID 97428015) is N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]cyclopentanecarboxamide is O=C(Nc1cnn([C@@H]2CCOC2)c1)C1CCCC1.
What is the InChIKey of N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]cyclopentanecarboxamide?
The InChIKey is YIWQEMWTYMCWGM-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-13(10-3-1-2-4-10)15-11-7-14-16(8-11)12-5-6-18-9-12/h7-8,10,12H,1-6,9H2,(H,15,17)/t12-/m1/s1.
What are the key properties of N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]cyclopentanecarboxamide?
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]cyclopentanecarboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]cyclopentanecarboxamide is sourced from PubChem (CID 97428015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).