(2S)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide

C15H24N4O2 — CID 95305228

IUPAC(2S)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESCc1cnn(C2CN([C@@H](C)C(=O)NC[C@H]3CCCO3)C2)c1
InChIInChI=1S/C15H24N4O2/c1-11-6-17-19(8-11)13-9-18(10-13)12(2)15(20)16-7-14-4-3-5-21-14/h6,8,12-14H,3-5,7,9-10H2,1-2H3,(H,16,20)/t12-,14+/m0/s1
InChIKeyILVOQWANIVEQLO-GXTWGEPZSA-N
MW292.38 g/mol
LogP0.73
Rot. Bonds5

About (2S)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide

(2S)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide (PubChem CID 95305228) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2S)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
PubChem CID95305228
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name(2S)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESCc1cnn(C2CN([C@@H](C)C(=O)NC[C@H]3CCCO3)C2)c1
InChIInChI=1S/C15H24N4O2/c1-11-6-17-19(8-11)13-9-18(10-13)12(2)15(20)16-7-14-4-3-5-21-14/h6,8,12-14H,3-5,7,9-10H2,1-2H3,(H,16,20)/t12-,14+/m0/s1
InChIKeyILVOQWANIVEQLO-GXTWGEPZSA-N
XLogP0.73
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[(3R)-1-[(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]propan-2-yl]pyrrolidin-3-yl]triazole-4-carboxylate
CID 98878498
(2R)-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 124737381
2-(4-bromo-3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 19533299
(2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 17034856
1-(1-methyl-3-propan-2-ylpyrazol-4-yl)-3-(oxolan-2-ylmethyl)urea
CID 146091310
3-(4-cyanopyrazol-1-yl)-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide
CID 126900520
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
(2S)-2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 95758684
2-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 136525948
(2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 95350961
(2R)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 124621251
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]propanamide
CID 124886784

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of (2S)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide (CID 95305228) is (2S)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for (2S)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for (2S)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide is Cc1cnn(C2CN([C@@H](C)C(=O)NC[C@H]3CCCO3)C2)c1.
What is the InChIKey of (2S)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The InChIKey is ILVOQWANIVEQLO-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11-6-17-19(8-11)13-9-18(10-13)12(2)15(20)16-7-14-4-3-5-21-14/h6,8,12-14H,3-5,7,9-10H2,1-2H3,(H,16,20)/t12-,14+/m0/s1.
What are the key properties of (2S)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
(2S)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide has a molecular weight of 292.38 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 95305228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).