(2R,3R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-yloxane-3-carboxamide

C15H25N3O2 — CID 129492505

IUPAC(2R,3R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-yloxane-3-carboxamide
SMILESCC(C)[C@H]1OCCC[C@H]1C(=O)NCCc1ccnn1C
InChIInChI=1S/C15H25N3O2/c1-11(2)14-13(5-4-10-20-14)15(19)16-8-6-12-7-9-17-18(12)3/h7,9,11,13-14H,4-6,8,10H2,1-3H3,(H,16,19)/t13-,14-/m1/s1
InChIKeyOGPAUBDAHJFRPG-ZIAGYGMSSA-N
MW279.38 g/mol
LogP1.53
Rot. Bonds5

About (2R,3R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-yloxane-3-carboxamide

(2R,3R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-yloxane-3-carboxamide (PubChem CID 129492505) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is (2R,3R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-yloxane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-yloxane-3-carboxamide
PubChem CID129492505
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name(2R,3R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-yloxane-3-carboxamide
SMILESCC(C)[C@H]1OCCC[C@H]1C(=O)NCCc1ccnn1C
InChIInChI=1S/C15H25N3O2/c1-11(2)14-13(5-4-10-20-14)15(19)16-8-6-12-7-9-17-18(12)3/h7,9,11,13-14H,4-6,8,10H2,1-3H3,(H,16,19)/t13-,14-/m1/s1
InChIKeyOGPAUBDAHJFRPG-ZIAGYGMSSA-N
XLogP1.53
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 104693313
(2R,3R)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-2-propan-2-yloxane-3-carboxamide
CID 129492650
6-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104693312
1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-ylurea
CID 104693386
trans-(1R,2R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 86286952
2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 103009645
1-cyclohexyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693380
N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 103006710
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693382
3-chloro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 103005493
5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2-carboxamide
CID 103007240
3-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 104693320

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-yloxane-3-carboxamide?
The IUPAC name of (2R,3R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-yloxane-3-carboxamide (CID 129492505) is (2R,3R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-yloxane-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-yloxane-3-carboxamide?
The canonical SMILES for (2R,3R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-yloxane-3-carboxamide is CC(C)[C@H]1OCCC[C@H]1C(=O)NCCc1ccnn1C.
What is the InChIKey of (2R,3R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-yloxane-3-carboxamide?
The InChIKey is OGPAUBDAHJFRPG-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11(2)14-13(5-4-10-20-14)15(19)16-8-6-12-7-9-17-18(12)3/h7,9,11,13-14H,4-6,8,10H2,1-3H3,(H,16,19)/t13-,14-/m1/s1.
What are the key properties of (2R,3R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-yloxane-3-carboxamide?
(2R,3R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-yloxane-3-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-yloxane-3-carboxamide is sourced from PubChem (CID 129492505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).