(2S)-2-amino-N-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]-3-methylbutanamide

C12H21N5O2 — CID 82961515

IUPAC(2S)-2-amino-N-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]-3-methylbutanamide
SMILESCCn1cc(NC(=O)CNC(=O)[C@@H](N)C(C)C)cn1
InChIInChI=1S/C12H21N5O2/c1-4-17-7-9(5-15-17)16-10(18)6-14-12(19)11(13)8(2)3/h5,7-8,11H,4,6,13H2,1-3H3,(H,14,19)(H,16,18)/t11-/m0/s1
InChIKeyZCSCWUZKSOLWTM-NSHDSACASA-N
MW267.33 g/mol
LogP-0.06
Rot. Bonds6

About (2S)-2-amino-N-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]-3-methylbutanamide

(2S)-2-amino-N-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]-3-methylbutanamide (PubChem CID 82961515) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]-3-methylbutanamide
PubChem CID82961515
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name(2S)-2-amino-N-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]-3-methylbutanamide
SMILESCCn1cc(NC(=O)CNC(=O)[C@@H](N)C(C)C)cn1
InChIInChI=1S/C12H21N5O2/c1-4-17-7-9(5-15-17)16-10(18)6-14-12(19)11(13)8(2)3/h5,7-8,11H,4,6,13H2,1-3H3,(H,14,19)(H,16,18)/t11-/m0/s1
InChIKeyZCSCWUZKSOLWTM-NSHDSACASA-N
XLogP-0.06
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-(1-ethylpyrazol-4-yl)-3-methylpentanamide
CID 61172285
N-(1-ethylpyrazol-4-yl)-3-methyl-2-sulfanylbutanamide
CID 107022932
(2S)-2-amino-3-methyl-N-[2-(4-methylanilino)-2-oxoethyl]butanamide
CID 82962341
N-(1-ethylpyrazol-4-yl)-2-(prop-2-enylamino)acetamide
CID 79285076
2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylbutanamide;hydrochloride
CID 119292257
(2S)-2-amino-N-[2-(4-bromo-3,5-dimethylanilino)-2-oxoethyl]-3-methylbutanamide
CID 107574189
(2S)-2-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-methylbutanamide
CID 81425570
(2S)-2-amino-N-[2-[(4-ethyl-1H-pyrazol-5-yl)amino]-2-oxoethyl]-3-methylbutanamide
CID 104619280
2-amino-N-(1-ethylpyrazol-4-yl)-2-phenylacetamide
CID 43543649
1-[4-(1-aminoethyl)phenyl]-3-(1-ethylpyrazol-4-yl)urea
CID 61339861
ethyl 2-[4-[[(2S)-2-amino-3-methylbutanoyl]amino]pyrazol-1-yl]-2-methylpropanoate
CID 119345899
4-chloro-N-(1-ethylpyrazol-4-yl)butanamide
CID 63309396

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]-3-methylbutanamide (CID 82961515) is (2S)-2-amino-N-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]-3-methylbutanamide is CCn1cc(NC(=O)CNC(=O)[C@@H](N)C(C)C)cn1.
What is the InChIKey of (2S)-2-amino-N-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]-3-methylbutanamide?
The InChIKey is ZCSCWUZKSOLWTM-NSHDSACASA-N. The full InChI is InChI=1S/C12H21N5O2/c1-4-17-7-9(5-15-17)16-10(18)6-14-12(19)11(13)8(2)3/h5,7-8,11H,4,6,13H2,1-3H3,(H,14,19)(H,16,18)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]-3-methylbutanamide?
(2S)-2-amino-N-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]-3-methylbutanamide has a molecular weight of 267.33 g/mol, XLogP of -0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]-3-methylbutanamide is sourced from PubChem (CID 82961515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).