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

C12H21N5O2 — CID 104618040

IUPAC(2S)-2-amino-N-[2-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-3-methylbutanamide
SMILESCCc1cc(NC(=O)CNC(=O)[C@@H](N)C(C)C)n[nH]1
InChIInChI=1S/C12H21N5O2/c1-4-8-5-9(17-16-8)15-10(18)6-14-12(19)11(13)7(2)3/h5,7,11H,4,6,13H2,1-3H3,(H,14,19)(H2,15,16,17,18)/t11-/m0/s1
InChIKeyHMINSXSVFVVGHJ-NSHDSACASA-N
MW267.33 g/mol
LogP0.01
Rot. Bonds6

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

(2S)-2-amino-N-[2-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-3-methylbutanamide (PubChem CID 104618040) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-3-methylbutanamide
PubChem CID104618040
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name(2S)-2-amino-N-[2-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-3-methylbutanamide
SMILESCCc1cc(NC(=O)CNC(=O)[C@@H](N)C(C)C)n[nH]1
InChIInChI=1S/C12H21N5O2/c1-4-8-5-9(17-16-8)15-10(18)6-14-12(19)11(13)7(2)3/h5,7,11H,4,6,13H2,1-3H3,(H,14,19)(H2,15,16,17,18)/t11-/m0/s1
InChIKeyHMINSXSVFVVGHJ-NSHDSACASA-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-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-3-methylbutanamide with MolForge

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Related Compounds

4-amino-N-(5-ethyl-1H-pyrazol-3-yl)pentanamide
CID 104617963
(2S)-2-amino-N-[2-[(4-ethyl-1H-pyrazol-5-yl)amino]-2-oxoethyl]-3-methylbutanamide
CID 104619280
(2R)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)butanamide
CID 104617946
(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620406
N-(5-ethyl-1H-pyrazol-3-yl)-3-methylpentanamide
CID 114875544
2-methylpropyl N-(5-ethyl-1H-pyrazol-3-yl)carbamate
CID 104620381
(2S)-2-amino-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)pentanamide
CID 63823173
(2S)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylsulfanylbutanamide
CID 103950165
(2S)-2-amino-3-methyl-N-[2-oxo-2-(1,2,4-triazin-3-ylamino)ethyl]butanamide
CID 104919515
(2S)-2-amino-3-methyl-N-[2-(4-methylanilino)-2-oxoethyl]butanamide
CID 82962341
(2S)-2-amino-N-[2-(4-bromo-3,5-dimethylanilino)-2-oxoethyl]-3-methylbutanamide
CID 107574189
N-(5-ethyl-1H-pyrazol-3-yl)-2-(2-hydroxyphenyl)acetamide
CID 113229818

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-3-methylbutanamide (CID 104618040) is (2S)-2-amino-N-[2-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-3-methylbutanamide is CCc1cc(NC(=O)CNC(=O)[C@@H](N)C(C)C)n[nH]1.
What is the InChIKey of (2S)-2-amino-N-[2-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-3-methylbutanamide?
The InChIKey is HMINSXSVFVVGHJ-NSHDSACASA-N. The full InChI is InChI=1S/C12H21N5O2/c1-4-8-5-9(17-16-8)15-10(18)6-14-12(19)11(13)7(2)3/h5,7,11H,4,6,13H2,1-3H3,(H,14,19)(H2,15,16,17,18)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-3-methylbutanamide?
(2S)-2-amino-N-[2-[(5-ethyl-1H-pyrazol-3-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-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-3-methylbutanamide is sourced from PubChem (CID 104618040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).