(2R)-N,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxolane-2-carboxamide

C13H21N3O2 — CID 126437889

IUPAC(2R)-N,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxolane-2-carboxamide
SMILESCN(CCc1cnn(C)c1)C(=O)[C@@]1(C)CCCO1
InChIInChI=1S/C13H21N3O2/c1-13(6-4-8-18-13)12(17)15(2)7-5-11-9-14-16(3)10-11/h9-10H,4-8H2,1-3H3/t13-/m1/s1
InChIKeyDBRUGDOOAAAKHM-CYBMUJFWSA-N
MW251.33 g/mol
LogP0.99
Rot. Bonds4

About (2R)-N,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxolane-2-carboxamide

(2R)-N,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxolane-2-carboxamide (PubChem CID 126437889) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (2R)-N,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxolane-2-carboxamide
PubChem CID126437889
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name(2R)-N,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxolane-2-carboxamide
SMILESCN(CCc1cnn(C)c1)C(=O)[C@@]1(C)CCCO1
InChIInChI=1S/C13H21N3O2/c1-13(6-4-8-18-13)12(17)15(2)7-5-11-9-14-16(3)10-11/h9-10H,4-8H2,1-3H3/t13-/m1/s1
InChIKeyDBRUGDOOAAAKHM-CYBMUJFWSA-N
XLogP0.99
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]oxolane-2-carboxamide
CID 126438337
N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-piperidin-1-ylbutanamide
CID 72907985
N,2,4-trimethyl-N-(2-pyridin-4-ylethyl)morpholine-2-carboxamide
CID 110094666
2-[methyl-[3-(1-methylpyrazol-4-yl)propyl]amino]acetic acid
CID 56703387
1-[2-(1-methylpyrazol-4-yl)ethyl]cyclooctane-1-carboxylic acid
CID 103017652
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-methyloxolan-2-yl)methanone
CID 114641610
N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119946233
N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide
CID 72907952
3-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]oxolane-3-carboxamide
CID 64893781
1-(2-methyloxan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011693
1-(2-methyloxolan-2-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103011487
(2R)-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 97194638

Frequently Asked Questions

What is the IUPAC name of (2R)-N,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxolane-2-carboxamide (CID 126437889) is (2R)-N,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxolane-2-carboxamide is CN(CCc1cnn(C)c1)C(=O)[C@@]1(C)CCCO1.
What is the InChIKey of (2R)-N,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxolane-2-carboxamide?
The InChIKey is DBRUGDOOAAAKHM-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-13(6-4-8-18-13)12(17)15(2)7-5-11-9-14-16(3)10-11/h9-10H,4-8H2,1-3H3/t13-/m1/s1.
What are the key properties of (2R)-N,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxolane-2-carboxamide?
(2R)-N,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxolane-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 126437889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).