(2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

C15H25N5O2 — CID 8911415

IUPAC(2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1NC(=O)[C@@H](C)N(C)CC(=O)NC1CC1
InChIInChI=1S/C15H25N5O2/c1-9-14(10(2)20(5)18-9)17-15(22)11(3)19(4)8-13(21)16-12-6-7-12/h11-12H,6-8H2,1-5H3,(H,16,21)(H,17,22)/t11-/m1/s1
InChIKeyQZKRUCHWCPOSEX-LLVKDONJSA-N
MW307.40 g/mol
LogP0.57
Rot. Bonds6

About (2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

(2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 8911415) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is (2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID8911415
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name(2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1NC(=O)[C@@H](C)N(C)CC(=O)NC1CC1
InChIInChI=1S/C15H25N5O2/c1-9-14(10(2)20(5)18-9)17-15(22)11(3)19(4)8-13(21)16-12-6-7-12/h11-12H,6-8H2,1-5H3,(H,16,21)(H,17,22)/t11-/m1/s1
InChIKeyQZKRUCHWCPOSEX-LLVKDONJSA-N
XLogP0.57
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 8909425
(2S)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8815206
(2R)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8847225
(2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8594523
N-cyclopropyl-2-[(1-hydrazinyl-1-oxopropan-2-yl)-methylamino]acetamide
CID 63584391
(2S)-N-(4-bromophenyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
CID 9053206
(2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)propanamide
CID 9053403
2-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 86895153
(2S)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 9030106
(2S)-N-cyclopropyl-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]propanamide
CID 8557442
N-cyclopropyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanamide
CID 17457194
2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 111858654

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of (2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 8911415) is (2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for (2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for (2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N(C)CC(=O)NC1CC1.
What is the InChIKey of (2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is QZKRUCHWCPOSEX-LLVKDONJSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-9-14(10(2)20(5)18-9)17-15(22)11(3)19(4)8-13(21)16-12-6-7-12/h11-12H,6-8H2,1-5H3,(H,16,21)(H,17,22)/t11-/m1/s1.
What are the key properties of (2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
(2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 307.40 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 8911415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).