(3S)-3-(4-methoxyphenyl)-N-methyl-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide

C22H25N3O2 — CID 97269540

IUPAC(3S)-3-(4-methoxyphenyl)-N-methyl-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide
SMILESCOc1ccc([C@@H](CC(=O)N(C)CCn2cccn2)c2ccccc2)cc1
InChIInChI=1S/C22H25N3O2/c1-24(15-16-25-14-6-13-23-25)22(26)17-21(18-7-4-3-5-8-18)19-9-11-20(27-2)12-10-19/h3-14,21H,15-17H2,1-2H3/t21-/m0/s1
InChIKeyKZIJBXZQAQOHKX-NRFANRHFSA-N
MW363.46 g/mol
LogP3.57
Rot. Bonds8

About (3S)-3-(4-methoxyphenyl)-N-methyl-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide

(3S)-3-(4-methoxyphenyl)-N-methyl-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide (PubChem CID 97269540) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is (3S)-3-(4-methoxyphenyl)-N-methyl-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide.

Molecular Properties

Compound Name(3S)-3-(4-methoxyphenyl)-N-methyl-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide
PubChem CID97269540
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name(3S)-3-(4-methoxyphenyl)-N-methyl-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide
SMILESCOc1ccc([C@@H](CC(=O)N(C)CCn2cccn2)c2ccccc2)cc1
InChIInChI=1S/C22H25N3O2/c1-24(15-16-25-14-6-13-23-25)22(26)17-21(18-7-4-3-5-8-18)19-9-11-20(27-2)12-10-19/h3-14,21H,15-17H2,1-2H3/t21-/m0/s1
InChIKeyKZIJBXZQAQOHKX-NRFANRHFSA-N
XLogP3.57
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(4-methoxyphenyl)-N-methyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 42522519
3-amino-N,2-dimethyl-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide
CID 119886219
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide
CID 45198535
methyl (3S)-3-(4-methoxyphenyl)-3-phenylpropanoate
CID 134965407
(3S)-3-(4-methoxyphenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide
CID 25451977
(1R)-1-(4-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 81370767
2-(1,3-dioxoisoindol-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)acetamide
CID 30461001
3-(3-methoxy-6-methyl-2-pyridinyl)-1-methyl-1-(2-pyrazol-1-ylethyl)urea
CID 86793436
(3R)-3-(4-methoxyphenyl)-1-phenyl-3-pyrazol-1-ylpropan-1-one
CID 102125729
N-methoxy-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 144913522
3-(3-chlorophenyl)-N-(2-imidazol-1-ylethyl)-N-methyl-3-phenylpropanamide
CID 72842125
N-methyl-2-(4-oxo-3H-phthalazin-1-yl)-N-(2-pyrazol-1-ylethyl)acetamide
CID 166201758

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-methoxyphenyl)-N-methyl-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide?
The IUPAC name of (3S)-3-(4-methoxyphenyl)-N-methyl-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide (CID 97269540) is (3S)-3-(4-methoxyphenyl)-N-methyl-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide.
What is the SMILES notation for (3S)-3-(4-methoxyphenyl)-N-methyl-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide?
The canonical SMILES for (3S)-3-(4-methoxyphenyl)-N-methyl-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide is COc1ccc([C@@H](CC(=O)N(C)CCn2cccn2)c2ccccc2)cc1.
What is the InChIKey of (3S)-3-(4-methoxyphenyl)-N-methyl-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide?
The InChIKey is KZIJBXZQAQOHKX-NRFANRHFSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-24(15-16-25-14-6-13-23-25)22(26)17-21(18-7-4-3-5-8-18)19-9-11-20(27-2)12-10-19/h3-14,21H,15-17H2,1-2H3/t21-/m0/s1.
What are the key properties of (3S)-3-(4-methoxyphenyl)-N-methyl-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide?
(3S)-3-(4-methoxyphenyl)-N-methyl-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide has a molecular weight of 363.46 g/mol, XLogP of 3.57, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-methoxyphenyl)-N-methyl-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide is sourced from PubChem (CID 97269540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).