(2S)-2-amino-N-(1-ethylpyrazol-4-yl)-3-methylpentanamide

C11H20N4O — CID 61172285

IUPAC(2S)-2-amino-N-(1-ethylpyrazol-4-yl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1cnn(CC)c1
InChIInChI=1S/C11H20N4O/c1-4-8(3)10(12)11(16)14-9-6-13-15(5-2)7-9/h6-8,10H,4-5,12H2,1-3H3,(H,14,16)/t8?,10-/m0/s1
InChIKeyBTUXLRWYJBOYLY-HTLJXXAVSA-N
MW224.31 g/mol
LogP1.21
Rot. Bonds5

About (2S)-2-amino-N-(1-ethylpyrazol-4-yl)-3-methylpentanamide

(2S)-2-amino-N-(1-ethylpyrazol-4-yl)-3-methylpentanamide (PubChem CID 61172285) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-ethylpyrazol-4-yl)-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-ethylpyrazol-4-yl)-3-methylpentanamide
PubChem CID61172285
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name(2S)-2-amino-N-(1-ethylpyrazol-4-yl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1cnn(CC)c1
InChIInChI=1S/C11H20N4O/c1-4-8(3)10(12)11(16)14-9-6-13-15(5-2)7-9/h6-8,10H,4-5,12H2,1-3H3,(H,14,16)/t8?,10-/m0/s1
InChIKeyBTUXLRWYJBOYLY-HTLJXXAVSA-N
XLogP1.21
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pentanamide
CID 119796075
(2S)-2-amino-N-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]-3-methylbutanamide
CID 82961515
N-(1-ethylpyrazol-4-yl)-3-methyl-2-sulfanylbutanamide
CID 107022932
2-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-3-methylpentanamide;hydrochloride
CID 119800873
2-amino-N-(1-ethylpyrazol-4-yl)-2-phenylacetamide
CID 43543649
ethyl 2-[(1-ethylpyrazol-4-yl)amino]-2-oxoacetate
CID 60893384
(2R)-2-amino-N-(1-ethylpyrazol-4-yl)-4-methylsulfanylbutanamide
CID 104906984
2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylbutanamide;hydrochloride
CID 119292257
1-[4-(1-aminoethyl)phenyl]-3-(1-ethylpyrazol-4-yl)urea
CID 61339861
2-amino-N-(1-ethylpyrazol-4-yl)-3-phenylpropanamide;hydrochloride
CID 119292189
2-[4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]pyrazol-1-yl]acetic acid
CID 61017978
(2S,3S)-2-amino-3-methyl-N-pyridin-4-ylpentanamide
CID 61148096

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-ethylpyrazol-4-yl)-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(1-ethylpyrazol-4-yl)-3-methylpentanamide (CID 61172285) is (2S)-2-amino-N-(1-ethylpyrazol-4-yl)-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-ethylpyrazol-4-yl)-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(1-ethylpyrazol-4-yl)-3-methylpentanamide is CCC(C)[C@H](N)C(=O)Nc1cnn(CC)c1.
What is the InChIKey of (2S)-2-amino-N-(1-ethylpyrazol-4-yl)-3-methylpentanamide?
The InChIKey is BTUXLRWYJBOYLY-HTLJXXAVSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-8(3)10(12)11(16)14-9-6-13-15(5-2)7-9/h6-8,10H,4-5,12H2,1-3H3,(H,14,16)/t8?,10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-ethylpyrazol-4-yl)-3-methylpentanamide?
(2S)-2-amino-N-(1-ethylpyrazol-4-yl)-3-methylpentanamide has a molecular weight of 224.31 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-ethylpyrazol-4-yl)-3-methylpentanamide is sourced from PubChem (CID 61172285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).