3-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-[(1S)-1-phenylethyl]propanamide

C19H28N4O — CID 95614058

IUPAC3-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-[(1S)-1-phenylethyl]propanamide
SMILESCc1cnn([C@H](C)[C@H](C)NCCC(=O)N[C@@H](C)c2ccccc2)c1
InChIInChI=1S/C19H28N4O/c1-14-12-21-23(13-14)17(4)15(2)20-11-10-19(24)22-16(3)18-8-6-5-7-9-18/h5-9,12-13,15-17,20H,10-11H2,1-4H3,(H,22,24)/t15-,16-,17+/m0/s1
InChIKeyGWQUEXIKDJTTST-YESZJQIVSA-N
MW328.46 g/mol
LogP3.00
Rot. Bonds8

About 3-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-[(1S)-1-phenylethyl]propanamide

3-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-[(1S)-1-phenylethyl]propanamide (PubChem CID 95614058) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 3-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-[(1S)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name3-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-[(1S)-1-phenylethyl]propanamide
PubChem CID95614058
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name3-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-[(1S)-1-phenylethyl]propanamide
SMILESCc1cnn([C@H](C)[C@H](C)NCCC(=O)N[C@@H](C)c2ccccc2)c1
InChIInChI=1S/C19H28N4O/c1-14-12-21-23(13-14)17(4)15(2)20-11-10-19(24)22-16(3)18-8-6-5-7-9-18/h5-9,12-13,15-17,20H,10-11H2,1-4H3,(H,22,24)/t15-,16-,17+/m0/s1
InChIKeyGWQUEXIKDJTTST-YESZJQIVSA-N
XLogP3.00
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(1S)-1-phenylethyl]propanamide
CID 95301284
N-[(2-chlorophenyl)methyl]-3-[[(2R,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]propanamide
CID 95340689
N-[(R)-cyclopropyl(phenyl)methyl]-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]acetamide
CID 95759677
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-[[(2R,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]acetamide
CID 95613963
N-[2-[[(2R,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]ethyl]benzenesulfonamide
CID 95319041
N-[2-[[(2S,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]ethyl]benzenesulfonamide
CID 95319042
3-amino-N-(1-phenylethyl)propanamide
CID 16784228
2-(4-bromopyrazol-1-yl)-N-(1-phenylethyl)acetamide
CID 19524551
2-[(5-methyl-2-pyridinyl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 134007796
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
(2R,3S)-3-(4-methylpyrazol-1-yl)-N-[(2-phenylpyrimidin-5-yl)methyl]butan-2-amine
CID 95613951
2-[[[(2S,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]benzonitrile
CID 95613985

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-[(1S)-1-phenylethyl]propanamide?
The IUPAC name of 3-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-[(1S)-1-phenylethyl]propanamide (CID 95614058) is 3-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-[(1S)-1-phenylethyl]propanamide.
What is the SMILES notation for 3-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-[(1S)-1-phenylethyl]propanamide?
The canonical SMILES for 3-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-[(1S)-1-phenylethyl]propanamide is Cc1cnn([C@H](C)[C@H](C)NCCC(=O)N[C@@H](C)c2ccccc2)c1.
What is the InChIKey of 3-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-[(1S)-1-phenylethyl]propanamide?
The InChIKey is GWQUEXIKDJTTST-YESZJQIVSA-N. The full InChI is InChI=1S/C19H28N4O/c1-14-12-21-23(13-14)17(4)15(2)20-11-10-19(24)22-16(3)18-8-6-5-7-9-18/h5-9,12-13,15-17,20H,10-11H2,1-4H3,(H,22,24)/t15-,16-,17+/m0/s1.
What are the key properties of 3-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-[(1S)-1-phenylethyl]propanamide?
3-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-[(1S)-1-phenylethyl]propanamide has a molecular weight of 328.46 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-[(1S)-1-phenylethyl]propanamide is sourced from PubChem (CID 95614058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).