(2S)-2-amino-N-[2-[(4-ethyl-1H-pyrazol-5-yl)amino]-2-oxoethyl]-3-methylbutanamide

C12H21N5O2 — CID 104619280

IUPAC(2S)-2-amino-N-[2-[(4-ethyl-1H-pyrazol-5-yl)amino]-2-oxoethyl]-3-methylbutanamide
SMILESCCc1cn[nH]c1NC(=O)CNC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C12H21N5O2/c1-4-8-5-15-17-11(8)16-9(18)6-14-12(19)10(13)7(2)3/h5,7,10H,4,6,13H2,1-3H3,(H,14,19)(H2,15,16,17,18)/t10-/m0/s1
InChIKeyRDRODJLMNAFYBY-JTQLQIEISA-N
MW267.33 g/mol
LogP0.01
Rot. Bonds6

About (2S)-2-amino-N-[2-[(4-ethyl-1H-pyrazol-5-yl)amino]-2-oxoethyl]-3-methylbutanamide

(2S)-2-amino-N-[2-[(4-ethyl-1H-pyrazol-5-yl)amino]-2-oxoethyl]-3-methylbutanamide (PubChem CID 104619280) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-[(4-ethyl-1H-pyrazol-5-yl)amino]-2-oxoethyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-[(4-ethyl-1H-pyrazol-5-yl)amino]-2-oxoethyl]-3-methylbutanamide
PubChem CID104619280
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name(2S)-2-amino-N-[2-[(4-ethyl-1H-pyrazol-5-yl)amino]-2-oxoethyl]-3-methylbutanamide
SMILESCCc1cn[nH]c1NC(=O)CNC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C12H21N5O2/c1-4-8-5-15-17-11(8)16-9(18)6-14-12(19)10(13)7(2)3/h5,7,10H,4,6,13H2,1-3H3,(H,14,19)(H2,15,16,17,18)/t10-/m0/s1
InChIKeyRDRODJLMNAFYBY-JTQLQIEISA-N
XLogP0.01
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N-[2-[(4-ethyl-1H-pyrazol-5-yl)amino]-2-oxoethyl]-3-methylbutanamide with MolForge

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Related Compounds

(2S)-2-amino-N-[2-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-3-methylbutanamide
CID 104618040
(2R)-2-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide
CID 79013070
N-(4-ethyl-1H-pyrazol-5-yl)-2-propan-2-yloxyacetamide
CID 115692319
(2S)-2-amino-N-[2-(1H-indazol-5-ylamino)-2-oxoethyl]-3-methylbutanamide
CID 82963463
(2S)-2-amino-N-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]-3-methylbutanamide
CID 82961515
N-(4-ethyl-1H-pyrazol-5-yl)-2-(2-methylphenyl)acetamide
CID 113251561
(2S)-2-amino-3-methyl-N-[2-(4-methylanilino)-2-oxoethyl]butanamide
CID 82962341
(2S)-2-amino-3-methyl-N-[2-oxo-2-[1-(1H-pyrazol-4-yl)ethylamino]ethyl]butanamide
CID 106212905
(2S)-2-amino-3-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylmethylamino)ethyl]butanamide
CID 82962080
2-amino-N-(4-ethyl-1H-pyrazol-5-yl)pent-4-enamide
CID 104619246
(2S)-2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4-methylsulfanylbutanamide
CID 104619288
(2S)-2-amino-3-methyl-N-[2-oxo-2-(1,2,4-triazin-3-ylamino)ethyl]butanamide
CID 104919515

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-[(4-ethyl-1H-pyrazol-5-yl)amino]-2-oxoethyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-[(4-ethyl-1H-pyrazol-5-yl)amino]-2-oxoethyl]-3-methylbutanamide (CID 104619280) is (2S)-2-amino-N-[2-[(4-ethyl-1H-pyrazol-5-yl)amino]-2-oxoethyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-[(4-ethyl-1H-pyrazol-5-yl)amino]-2-oxoethyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-[(4-ethyl-1H-pyrazol-5-yl)amino]-2-oxoethyl]-3-methylbutanamide is CCc1cn[nH]c1NC(=O)CNC(=O)[C@@H](N)C(C)C.
What is the InChIKey of (2S)-2-amino-N-[2-[(4-ethyl-1H-pyrazol-5-yl)amino]-2-oxoethyl]-3-methylbutanamide?
The InChIKey is RDRODJLMNAFYBY-JTQLQIEISA-N. The full InChI is InChI=1S/C12H21N5O2/c1-4-8-5-15-17-11(8)16-9(18)6-14-12(19)10(13)7(2)3/h5,7,10H,4,6,13H2,1-3H3,(H,14,19)(H2,15,16,17,18)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-[(4-ethyl-1H-pyrazol-5-yl)amino]-2-oxoethyl]-3-methylbutanamide?
(2S)-2-amino-N-[2-[(4-ethyl-1H-pyrazol-5-yl)amino]-2-oxoethyl]-3-methylbutanamide has a molecular weight of 267.33 g/mol, XLogP of 0.01, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-[(4-ethyl-1H-pyrazol-5-yl)amino]-2-oxoethyl]-3-methylbutanamide is sourced from PubChem (CID 104619280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).