(2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide

C17H23FN4O — CID 95346005

IUPAC(2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide
SMILESC[C@H](N[C@@H](C)Cn1cccn1)C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C17H23FN4O/c1-13(11-22-9-5-8-19-22)20-14(2)17(23)21(3)12-15-6-4-7-16(18)10-15/h4-10,13-14,20H,11-12H2,1-3H3/t13-,14-/m0/s1
InChIKeySLEVCEFHLYCABM-KBPBESRZSA-N
MW318.40 g/mol
LogP2.05
Rot. Bonds7

About (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide

(2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide (PubChem CID 95346005) has the molecular formula C17H23FN4O and a molecular weight of 318.40 g/mol. Its IUPAC name is (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide
PubChem CID95346005
Molecular FormulaC17H23FN4O
Molecular Weight318.40 g/mol
Exact Mass318.19
IUPAC Name(2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide
SMILESC[C@H](N[C@@H](C)Cn1cccn1)C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C17H23FN4O/c1-13(11-22-9-5-8-19-22)20-14(2)17(23)21(3)12-15-6-4-7-16(18)10-15/h4-10,13-14,20H,11-12H2,1-3H3/t13-,14-/m0/s1
InChIKeySLEVCEFHLYCABM-KBPBESRZSA-N
XLogP2.05
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(3-ethylanilino)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
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CID 60516816
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CID 111286486
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3-[[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid
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5-fluoro-2-(1-pyrazol-1-ylpropan-2-ylamino)benzoic acid
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide?
The IUPAC name of (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide (CID 95346005) is (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide.
What is the SMILES notation for (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide?
The canonical SMILES for (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide is C[C@H](N[C@@H](C)Cn1cccn1)C(=O)N(C)Cc1cccc(F)c1.
What is the InChIKey of (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide?
The InChIKey is SLEVCEFHLYCABM-KBPBESRZSA-N. The full InChI is InChI=1S/C17H23FN4O/c1-13(11-22-9-5-8-19-22)20-14(2)17(23)21(3)12-15-6-4-7-16(18)10-15/h4-10,13-14,20H,11-12H2,1-3H3/t13-,14-/m0/s1.
What are the key properties of (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide?
(2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide has a molecular weight of 318.40 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide is sourced from PubChem (CID 95346005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).