(2S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide

C16H22N4O2 — CID 95685516

IUPAC(2S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide
SMILESC[C@H](Oc1ccccc1)C(=O)Nc1ccn(CCN(C)C)n1
InChIInChI=1S/C16H22N4O2/c1-13(22-14-7-5-4-6-8-14)16(21)17-15-9-10-20(18-15)12-11-19(2)3/h4-10,13H,11-12H2,1-3H3,(H,17,18,21)/t13-/m0/s1
InChIKeyRUJZXWVBVFYGAZ-ZDUSSCGKSA-N
MW302.38 g/mol
LogP1.85
Rot. Bonds7

About (2S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide

(2S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide (PubChem CID 95685516) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is (2S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide.

Molecular Properties

Compound Name(2S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide
PubChem CID95685516
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name(2S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide
SMILESC[C@H](Oc1ccccc1)C(=O)Nc1ccn(CCN(C)C)n1
InChIInChI=1S/C16H22N4O2/c1-13(22-14-7-5-4-6-8-14)16(21)17-15-9-10-20(18-15)12-11-19(2)3/h4-10,13H,11-12H2,1-3H3,(H,17,18,21)/t13-/m0/s1
InChIKeyRUJZXWVBVFYGAZ-ZDUSSCGKSA-N
XLogP1.85
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide
CID 60607724
tert-butyl N-[(2R)-1-[[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]amino]-1-oxopropan-2-yl]carbamate
CID 60622726
4-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]pentanamide;dihydrochloride
CID 120565170
2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide
CID 119946927
2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenylpropanamide
CID 120596230
2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide;dihydrochloride
CID 119946926
2-(3-bromophenoxy)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]propanamide
CID 110279319
2-(4-bromophenoxy)-N-(1-phenylpyrazol-3-yl)propanamide
CID 55547798
1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(4-hydroxy-1-phenylbutyl)urea
CID 111475375
1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-4-methylpentyl)urea
CID 111475349
2-(4-bromophenoxy)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]propanamide
CID 2970557
2-(4-chloro-2-fluorophenyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-hydroxyacetamide
CID 139008887

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide?
The IUPAC name of (2S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide (CID 95685516) is (2S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide.
What is the SMILES notation for (2S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide?
The canonical SMILES for (2S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide is C[C@H](Oc1ccccc1)C(=O)Nc1ccn(CCN(C)C)n1.
What is the InChIKey of (2S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide?
The InChIKey is RUJZXWVBVFYGAZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-13(22-14-7-5-4-6-8-14)16(21)17-15-9-10-20(18-15)12-11-19(2)3/h4-10,13H,11-12H2,1-3H3,(H,17,18,21)/t13-/m0/s1.
What are the key properties of (2S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide?
(2S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide has a molecular weight of 302.38 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide is sourced from PubChem (CID 95685516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).