(2S)-N-[2-[[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]-2-oxoethyl]-2-methylbutanamide

C19H25FN4O2 — CID 52523485

IUPAC(2S)-N-[2-[[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]-2-oxoethyl]-2-methylbutanamide
SMILESCC[C@H](C)C(=O)NCC(=O)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C19H25FN4O2/c1-5-12(2)19(26)21-11-18(25)23-13(3)17-10-22-24(14(17)4)16-8-6-15(20)7-9-16/h6-10,12-13H,5,11H2,1-4H3,(H,21,26)(H,23,25)/t12-,13+/m0/s1
InChIKeyWESUSGNVKAHMKT-QWHCGFSZSA-N
MW360.43 g/mol
LogP2.66
Rot. Bonds7

About (2S)-N-[2-[[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]-2-oxoethyl]-2-methylbutanamide

(2S)-N-[2-[[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]-2-oxoethyl]-2-methylbutanamide (PubChem CID 52523485) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is (2S)-N-[2-[[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]-2-oxoethyl]-2-methylbutanamide.

Molecular Properties

Compound Name(2S)-N-[2-[[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]-2-oxoethyl]-2-methylbutanamide
PubChem CID52523485
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC Name(2S)-N-[2-[[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]-2-oxoethyl]-2-methylbutanamide
SMILESCC[C@H](C)C(=O)NCC(=O)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C19H25FN4O2/c1-5-12(2)19(26)21-11-18(25)23-13(3)17-10-22-24(14(17)4)16-8-6-15(20)7-9-16/h6-10,12-13H,5,11H2,1-4H3,(H,21,26)(H,23,25)/t12-,13+/m0/s1
InChIKeyWESUSGNVKAHMKT-QWHCGFSZSA-N
XLogP2.66
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[2-[[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]-2-oxoethyl]-2-methylbutanamide
CID 52523483
5-bromo-N-[2-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 55830958
2-(diethylamino)-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-phenylacetamide
CID 56549901
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]acetamide
CID 51938661
N-ethyl-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 61273138
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119729044
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 55592890
2-(5-fluoro-2-methylphenyl)-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]acetamide
CID 97152826
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-thiophen-3-ylprop-2-enamide
CID 71897876
(E)-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-thiophen-3-ylprop-2-enamide
CID 75362464
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 55592695
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-(trifluoromethoxy)benzamide
CID 55592880

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]-2-oxoethyl]-2-methylbutanamide?
The IUPAC name of (2S)-N-[2-[[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]-2-oxoethyl]-2-methylbutanamide (CID 52523485) is (2S)-N-[2-[[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]-2-oxoethyl]-2-methylbutanamide.
What is the SMILES notation for (2S)-N-[2-[[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]-2-oxoethyl]-2-methylbutanamide?
The canonical SMILES for (2S)-N-[2-[[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]-2-oxoethyl]-2-methylbutanamide is CC[C@H](C)C(=O)NCC(=O)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1C.
What is the InChIKey of (2S)-N-[2-[[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]-2-oxoethyl]-2-methylbutanamide?
The InChIKey is WESUSGNVKAHMKT-QWHCGFSZSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-5-12(2)19(26)21-11-18(25)23-13(3)17-10-22-24(14(17)4)16-8-6-15(20)7-9-16/h6-10,12-13H,5,11H2,1-4H3,(H,21,26)(H,23,25)/t12-,13+/m0/s1.
What are the key properties of (2S)-N-[2-[[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]-2-oxoethyl]-2-methylbutanamide?
(2S)-N-[2-[[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]-2-oxoethyl]-2-methylbutanamide has a molecular weight of 360.43 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]-2-oxoethyl]-2-methylbutanamide is sourced from PubChem (CID 52523485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).