(2R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methoxy-2-phenylpropanamide

C19H27N3O2 — CID 95310021

IUPAC(2R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methoxy-2-phenylpropanamide
SMILESCO[C@@](C)(C(=O)NC[C@@H](C)Cn1nc(C)cc1C)c1ccccc1
InChIInChI=1S/C19H27N3O2/c1-14(13-22-16(3)11-15(2)21-22)12-20-18(23)19(4,24-5)17-9-7-6-8-10-17/h6-11,14H,12-13H2,1-5H3,(H,20,23)/t14-,19-/m1/s1
InChIKeyMBLLGLZKWLWCFA-AUUYWEPGSA-N
MW329.44 g/mol
LogP2.81
Rot. Bonds7

About (2R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methoxy-2-phenylpropanamide

(2R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methoxy-2-phenylpropanamide (PubChem CID 95310021) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is (2R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methoxy-2-phenylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methoxy-2-phenylpropanamide
PubChem CID95310021
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name(2R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methoxy-2-phenylpropanamide
SMILESCO[C@@](C)(C(=O)NC[C@@H](C)Cn1nc(C)cc1C)c1ccccc1
InChIInChI=1S/C19H27N3O2/c1-14(13-22-16(3)11-15(2)21-22)12-20-18(23)19(4,24-5)17-9-7-6-8-10-17/h6-11,14H,12-13H2,1-5H3,(H,20,23)/t14-,19-/m1/s1
InChIKeyMBLLGLZKWLWCFA-AUUYWEPGSA-N
XLogP2.81
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea
CID 111119580
3-[(2-methoxy-2-phenylpropanoyl)amino]-2-methylpropanoic acid
CID 119237712
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(2-methylphenyl)acetamide
CID 94181374
(2S)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylbutanamide
CID 94185912
tert-butyl N-[(2R)-1-[[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-1-oxopropan-2-yl]carbamate
CID 94494165
1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(3-hydroxy-4-methylpentyl)urea
CID 111504956
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]furan-2-carboxamide
CID 94182050
1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(pyrimidin-2-ylamino)urea
CID 87007937
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]furan-2-carboxamide
CID 94182049
1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618588
1-(3-chlorophenyl)-3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]urea
CID 19590515
(E)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylpent-2-enamide
CID 94186074

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methoxy-2-phenylpropanamide?
The IUPAC name of (2R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methoxy-2-phenylpropanamide (CID 95310021) is (2R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methoxy-2-phenylpropanamide.
What is the SMILES notation for (2R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methoxy-2-phenylpropanamide?
The canonical SMILES for (2R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methoxy-2-phenylpropanamide is CO[C@@](C)(C(=O)NC[C@@H](C)Cn1nc(C)cc1C)c1ccccc1.
What is the InChIKey of (2R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methoxy-2-phenylpropanamide?
The InChIKey is MBLLGLZKWLWCFA-AUUYWEPGSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14(13-22-16(3)11-15(2)21-22)12-20-18(23)19(4,24-5)17-9-7-6-8-10-17/h6-11,14H,12-13H2,1-5H3,(H,20,23)/t14-,19-/m1/s1.
What are the key properties of (2R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methoxy-2-phenylpropanamide?
(2R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methoxy-2-phenylpropanamide has a molecular weight of 329.44 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methoxy-2-phenylpropanamide is sourced from PubChem (CID 95310021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).