(3R)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]oxolane-3-carboxamide

C12H17N3O3 — CID 97428174

IUPAC(3R)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]oxolane-3-carboxamide
SMILESO=C(Nc1cnn([C@H]2CCOC2)c1)[C@@H]1CCOC1
InChIInChI=1S/C12H17N3O3/c16-12(9-1-3-17-7-9)14-10-5-13-15(6-10)11-2-4-18-8-11/h5-6,9,11H,1-4,7-8H2,(H,14,16)/t9-,11+/m1/s1
InChIKeyJRXKDQPLFTZJOT-KOLCDFICSA-N
MW251.29 g/mol
LogP0.82
Rot. Bonds3

About (3R)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]oxolane-3-carboxamide

(3R)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]oxolane-3-carboxamide (PubChem CID 97428174) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is (3R)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]oxolane-3-carboxamide
PubChem CID97428174
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name(3R)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]oxolane-3-carboxamide
SMILESO=C(Nc1cnn([C@H]2CCOC2)c1)[C@@H]1CCOC1
InChIInChI=1S/C12H17N3O3/c16-12(9-1-3-17-7-9)14-10-5-13-15(6-10)11-2-4-18-8-11/h5-6,9,11H,1-4,7-8H2,(H,14,16)/t9-,11+/m1/s1
InChIKeyJRXKDQPLFTZJOT-KOLCDFICSA-N
XLogP0.82
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]cyclopentanecarboxamide
CID 97428015
N-[1-(oxolan-3-yl)pyrazol-4-yl]cyclobutanecarboxamide
CID 71810120
N-[1-(oxan-4-yl)pyrazol-4-yl]cyclopentanecarboxamide
CID 71810169
2-cyclopropyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]acetamide
CID 97428161
1-tert-butyl-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea
CID 72719638
2-chloro-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzamide
CID 71810085
4-methyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]piperazine-1-carboxamide
CID 72719656
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]furan-2-carboxamide
CID 97428071
1-methylsulfonyl-N-[1-(oxan-4-yl)pyrazol-4-yl]piperidine-4-carboxamide
CID 90597726
2,4-dimethyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1,3-thiazole-5-carboxamide
CID 97428084
methyl 4-[[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]carbamoyl]benzoate
CID 97427996
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]thiophene-2-carboxamide
CID 97428073

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]oxolane-3-carboxamide?
The IUPAC name of (3R)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]oxolane-3-carboxamide (CID 97428174) is (3R)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]oxolane-3-carboxamide.
What is the SMILES notation for (3R)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]oxolane-3-carboxamide?
The canonical SMILES for (3R)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]oxolane-3-carboxamide is O=C(Nc1cnn([C@H]2CCOC2)c1)[C@@H]1CCOC1.
What is the InChIKey of (3R)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]oxolane-3-carboxamide?
The InChIKey is JRXKDQPLFTZJOT-KOLCDFICSA-N. The full InChI is InChI=1S/C12H17N3O3/c16-12(9-1-3-17-7-9)14-10-5-13-15(6-10)11-2-4-18-8-11/h5-6,9,11H,1-4,7-8H2,(H,14,16)/t9-,11+/m1/s1.
What are the key properties of (3R)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]oxolane-3-carboxamide?
(3R)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]oxolane-3-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]oxolane-3-carboxamide is sourced from PubChem (CID 97428174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).