(2R)-N-[(R)-cyano(thiophen-3-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide

C14H16N4OS — CID 95594140

IUPAC(2R)-N-[(R)-cyano(thiophen-3-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1cc(C)n([C@H](C)C(=O)N[C@@H](C#N)c2ccsc2)n1
InChIInChI=1S/C14H16N4OS/c1-9-6-10(2)18(17-9)11(3)14(19)16-13(7-15)12-4-5-20-8-12/h4-6,8,11,13H,1-3H3,(H,16,19)/t11-,13+/m1/s1
InChIKeyCCPKWPMFYVNBGL-YPMHNXCESA-N
MW288.38 g/mol
LogP2.50
Rot. Bonds4

About (2R)-N-[(R)-cyano(thiophen-3-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide

(2R)-N-[(R)-cyano(thiophen-3-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide (PubChem CID 95594140) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is (2R)-N-[(R)-cyano(thiophen-3-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[(R)-cyano(thiophen-3-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide
PubChem CID95594140
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name(2R)-N-[(R)-cyano(thiophen-3-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1cc(C)n([C@H](C)C(=O)N[C@@H](C#N)c2ccsc2)n1
InChIInChI=1S/C14H16N4OS/c1-9-6-10(2)18(17-9)11(3)14(19)16-13(7-15)12-4-5-20-8-12/h4-6,8,11,13H,1-3H3,(H,16,19)/t11-,13+/m1/s1
InChIKeyCCPKWPMFYVNBGL-YPMHNXCESA-N
XLogP2.50
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[(S)-cyano(thiophen-3-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 95594142
2-(3,5-dimethylpyrazol-1-yl)-N-hydroxypropanamide
CID 131134395
2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)propanamide
CID 47986094
2-(3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide
CID 47406603
(2S)-2-[2-(3,5-dimethylpyrazol-1-yl)propanoylamino]-4-methylpentanoic acid
CID 91645223
3,5-dimethyl-1-(2-nitro-1-thiophen-3-ylethyl)pyrazole
CID 154581442
N-[1-(2,4-difluorophenyl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 47992538
N-[2-[[cyano(thiophen-3-yl)methyl]amino]ethyl]acetamide
CID 84816863
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-4-pyridinyl)propanamide
CID 95623384
2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-3-phenylpropyl)propanamide
CID 111472022
(2S)-N-(2-anilinoethyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 95980716
N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-3-ylethyl]-2-ethylsulfanylbenzamide
CID 126850924

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(R)-cyano(thiophen-3-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide?
The IUPAC name of (2R)-N-[(R)-cyano(thiophen-3-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide (CID 95594140) is (2R)-N-[(R)-cyano(thiophen-3-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for (2R)-N-[(R)-cyano(thiophen-3-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide?
The canonical SMILES for (2R)-N-[(R)-cyano(thiophen-3-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide is Cc1cc(C)n([C@H](C)C(=O)N[C@@H](C#N)c2ccsc2)n1.
What is the InChIKey of (2R)-N-[(R)-cyano(thiophen-3-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide?
The InChIKey is CCPKWPMFYVNBGL-YPMHNXCESA-N. The full InChI is InChI=1S/C14H16N4OS/c1-9-6-10(2)18(17-9)11(3)14(19)16-13(7-15)12-4-5-20-8-12/h4-6,8,11,13H,1-3H3,(H,16,19)/t11-,13+/m1/s1.
What are the key properties of (2R)-N-[(R)-cyano(thiophen-3-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide?
(2R)-N-[(R)-cyano(thiophen-3-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide has a molecular weight of 288.38 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(R)-cyano(thiophen-3-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 95594140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).