(3R)-3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[2-(3-fluorophenyl)ethyl]butanamide

C19H24FN3O2 — CID 126428560

IUPAC(3R)-3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[2-(3-fluorophenyl)ethyl]butanamide
SMILESCC(=O)c1c(C)nn([C@H](C)CC(=O)NCCc2cccc(F)c2)c1C
InChIInChI=1S/C19H24FN3O2/c1-12(23-14(3)19(15(4)24)13(2)22-23)10-18(25)21-9-8-16-6-5-7-17(20)11-16/h5-7,11-12H,8-10H2,1-4H3,(H,21,25)/t12-/m1/s1
InChIKeyDRPZFAKWWBABDV-GFCCVEGCSA-N
MW345.42 g/mol
LogP3.15
Rot. Bonds7

About (3R)-3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[2-(3-fluorophenyl)ethyl]butanamide

(3R)-3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[2-(3-fluorophenyl)ethyl]butanamide (PubChem CID 126428560) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is (3R)-3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[2-(3-fluorophenyl)ethyl]butanamide.

Molecular Properties

Compound Name(3R)-3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[2-(3-fluorophenyl)ethyl]butanamide
PubChem CID126428560
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name(3R)-3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[2-(3-fluorophenyl)ethyl]butanamide
SMILESCC(=O)c1c(C)nn([C@H](C)CC(=O)NCCc2cccc(F)c2)c1C
InChIInChI=1S/C19H24FN3O2/c1-12(23-14(3)19(15(4)24)13(2)22-23)10-18(25)21-9-8-16-6-5-7-17(20)11-16/h5-7,11-12H,8-10H2,1-4H3,(H,21,25)/t12-/m1/s1
InChIKeyDRPZFAKWWBABDV-GFCCVEGCSA-N
XLogP3.15
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]butanamide
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CID 51597392
N-[2-(3-fluorophenyl)ethyl]-2-(methylamino)acetamide
CID 43566280
2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 31956505
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 41364963
(2S)-2-amino-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 61145838
2-[2-(3-fluorophenyl)ethylcarbamoyl-propan-2-ylamino]acetic acid
CID 61202292
5-amino-N-[2-(3-fluorophenyl)ethyl]hexanamide
CID 82849123
2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylbutanamide
CID 43566282
3-(3-fluorophenyl)-N-(2-propan-2-yloxyethyl)propanamide
CID 110418848
N-[2-(3-fluorophenyl)ethyl]-2-piperazin-1-ylpropanamide
CID 43566424
N-[2-(3-fluorophenyl)ethyl]-3-(2-methoxyphenyl)propanamide
CID 18118760

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[2-(3-fluorophenyl)ethyl]butanamide?
The IUPAC name of (3R)-3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[2-(3-fluorophenyl)ethyl]butanamide (CID 126428560) is (3R)-3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[2-(3-fluorophenyl)ethyl]butanamide.
What is the SMILES notation for (3R)-3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[2-(3-fluorophenyl)ethyl]butanamide?
The canonical SMILES for (3R)-3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[2-(3-fluorophenyl)ethyl]butanamide is CC(=O)c1c(C)nn([C@H](C)CC(=O)NCCc2cccc(F)c2)c1C.
What is the InChIKey of (3R)-3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[2-(3-fluorophenyl)ethyl]butanamide?
The InChIKey is DRPZFAKWWBABDV-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-12(23-14(3)19(15(4)24)13(2)22-23)10-18(25)21-9-8-16-6-5-7-17(20)11-16/h5-7,11-12H,8-10H2,1-4H3,(H,21,25)/t12-/m1/s1.
What are the key properties of (3R)-3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[2-(3-fluorophenyl)ethyl]butanamide?
(3R)-3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[2-(3-fluorophenyl)ethyl]butanamide has a molecular weight of 345.42 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[2-(3-fluorophenyl)ethyl]butanamide is sourced from PubChem (CID 126428560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).