N-[(3R)-4,4-dimethyloxolan-3-yl]-1-propan-2-ylpyrazole-4-carboxamide

C13H21N3O2 — CID 164631342

IUPACN-[(3R)-4,4-dimethyloxolan-3-yl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)N[C@H]2COCC2(C)C)cn1
InChIInChI=1S/C13H21N3O2/c1-9(2)16-6-10(5-14-16)12(17)15-11-7-18-8-13(11,3)4/h5-6,9,11H,7-8H2,1-4H3,(H,15,17)/t11-/m0/s1
InChIKeyMNOIBGHTOSBSPP-NSHDSACASA-N
MW251.33 g/mol
LogP1.62
Rot. Bonds3

About N-[(3R)-4,4-dimethyloxolan-3-yl]-1-propan-2-ylpyrazole-4-carboxamide

N-[(3R)-4,4-dimethyloxolan-3-yl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 164631342) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(3R)-4,4-dimethyloxolan-3-yl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-4,4-dimethyloxolan-3-yl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID164631342
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[(3R)-4,4-dimethyloxolan-3-yl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)N[C@H]2COCC2(C)C)cn1
InChIInChI=1S/C13H21N3O2/c1-9(2)16-6-10(5-14-16)12(17)15-11-7-18-8-13(11,3)4/h5-6,9,11H,7-8H2,1-4H3,(H,15,17)/t11-/m0/s1
InChIKeyMNOIBGHTOSBSPP-NSHDSACASA-N
XLogP1.62
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-4,4-dimethyloxolan-3-yl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[(3R)-4,4-dimethyloxolan-3-yl]-1-propan-2-ylpyrazole-4-carboxamide (CID 164631342) is N-[(3R)-4,4-dimethyloxolan-3-yl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(3R)-4,4-dimethyloxolan-3-yl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[(3R)-4,4-dimethyloxolan-3-yl]-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1cc(C(=O)N[C@H]2COCC2(C)C)cn1.
What is the InChIKey of N-[(3R)-4,4-dimethyloxolan-3-yl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is MNOIBGHTOSBSPP-NSHDSACASA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(2)16-6-10(5-14-16)12(17)15-11-7-18-8-13(11,3)4/h5-6,9,11H,7-8H2,1-4H3,(H,15,17)/t11-/m0/s1.
What are the key properties of N-[(3R)-4,4-dimethyloxolan-3-yl]-1-propan-2-ylpyrazole-4-carboxamide?
N-[(3R)-4,4-dimethyloxolan-3-yl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-4,4-dimethyloxolan-3-yl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 164631342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).