(2S)-2-methyl-3-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)propanamide

C17H22N4O — CID 51495526

IUPAC(2S)-2-methyl-3-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)propanamide
SMILESC[C@@H](Cn1cccn1)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C17H22N4O/c1-14(13-21-11-5-8-18-21)17(22)19-15-6-4-7-16(12-15)20-9-2-3-10-20/h4-8,11-12,14H,2-3,9-10,13H2,1H3,(H,19,22)/t14-/m0/s1
InChIKeyDOTDGIBGZKRRLH-AWEZNQCLSA-N
MW298.39 g/mol
LogP2.76
Rot. Bonds5

About (2S)-2-methyl-3-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)propanamide

(2S)-2-methyl-3-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)propanamide (PubChem CID 51495526) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is (2S)-2-methyl-3-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-methyl-3-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)propanamide
PubChem CID51495526
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name(2S)-2-methyl-3-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)propanamide
SMILESC[C@@H](Cn1cccn1)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C17H22N4O/c1-14(13-21-11-5-8-18-21)17(22)19-15-6-4-7-16(12-15)20-9-2-3-10-20/h4-8,11-12,14H,2-3,9-10,13H2,1H3,(H,19,22)/t14-/m0/s1
InChIKeyDOTDGIBGZKRRLH-AWEZNQCLSA-N
XLogP2.76
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 80542782
2-methyl-N-(3-piperidin-1-ylphenyl)propanamide
CID 47379438
5-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 104684218
1-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-3-(3-morpholin-4-ylphenyl)urea
CID 94437016
(2S)-2-amino-4-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 61179793
(2S)-2-amino-N-[3-(azepan-1-yl)phenyl]-4-methylpentanamide
CID 119892187
1-(3-piperidin-1-ylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 86837888
2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide;dihydrochloride
CID 119872864
3,3,3-trifluoro-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]propanamide
CID 124626431
(2S)-2-amino-4-methyl-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]pentanamide
CID 119872849
N-butan-2-yl-2-[(3-piperidin-1-ylphenyl)carbamoylamino]propanamide
CID 86862541
2-[[2-(methylamino)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide
CID 120704211

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-3-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)propanamide?
The IUPAC name of (2S)-2-methyl-3-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)propanamide (CID 51495526) is (2S)-2-methyl-3-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)propanamide.
What is the SMILES notation for (2S)-2-methyl-3-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)propanamide?
The canonical SMILES for (2S)-2-methyl-3-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)propanamide is C[C@@H](Cn1cccn1)C(=O)Nc1cccc(N2CCCC2)c1.
What is the InChIKey of (2S)-2-methyl-3-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)propanamide?
The InChIKey is DOTDGIBGZKRRLH-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N4O/c1-14(13-21-11-5-8-18-21)17(22)19-15-6-4-7-16(12-15)20-9-2-3-10-20/h4-8,11-12,14H,2-3,9-10,13H2,1H3,(H,19,22)/t14-/m0/s1.
What are the key properties of (2S)-2-methyl-3-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)propanamide?
(2S)-2-methyl-3-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)propanamide has a molecular weight of 298.39 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-3-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)propanamide is sourced from PubChem (CID 51495526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).