(3R)-3-[(1-methylpyrazol-4-yl)amino]-N-[2-(trifluoromethyl)phenyl]butanamide

C15H17F3N4O — CID 99619216

IUPAC(3R)-3-[(1-methylpyrazol-4-yl)amino]-N-[2-(trifluoromethyl)phenyl]butanamide
SMILESC[C@H](CC(=O)Nc1ccccc1C(F)(F)F)Nc1cnn(C)c1
InChIInChI=1S/C15H17F3N4O/c1-10(20-11-8-19-22(2)9-11)7-14(23)21-13-6-4-3-5-12(13)15(16,17)18/h3-6,8-10,20H,7H2,1-2H3,(H,21,23)/t10-/m1/s1
InChIKeyBMAJMDZBBOQMKM-SNVBAGLBSA-N
MW326.32 g/mol
LogP3.27
Rot. Bonds5

About (3R)-3-[(1-methylpyrazol-4-yl)amino]-N-[2-(trifluoromethyl)phenyl]butanamide

(3R)-3-[(1-methylpyrazol-4-yl)amino]-N-[2-(trifluoromethyl)phenyl]butanamide (PubChem CID 99619216) has the molecular formula C15H17F3N4O and a molecular weight of 326.32 g/mol. Its IUPAC name is (3R)-3-[(1-methylpyrazol-4-yl)amino]-N-[2-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name(3R)-3-[(1-methylpyrazol-4-yl)amino]-N-[2-(trifluoromethyl)phenyl]butanamide
PubChem CID99619216
Molecular FormulaC15H17F3N4O
Molecular Weight326.32 g/mol
Exact Mass326.14
IUPAC Name(3R)-3-[(1-methylpyrazol-4-yl)amino]-N-[2-(trifluoromethyl)phenyl]butanamide
SMILESC[C@H](CC(=O)Nc1ccccc1C(F)(F)F)Nc1cnn(C)c1
InChIInChI=1S/C15H17F3N4O/c1-10(20-11-8-19-22(2)9-11)7-14(23)21-13-6-4-3-5-12(13)15(16,17)18/h3-6,8-10,20H,7H2,1-2H3,(H,21,23)/t10-/m1/s1
InChIKeyBMAJMDZBBOQMKM-SNVBAGLBSA-N
XLogP3.27
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylbutylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109005843
(3S)-N-(2-ethylphenyl)-3-[[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]amino]butanamide
CID 97232685
3-(3-phenoxypropylamino)-N-[2-(trifluoromethyl)phenyl]butanamide
CID 119163983
3-(aminomethyl)-N-[2-(trifluoromethyl)phenyl]pentanamide
CID 81071261
1-(azepan-1-yl)-3-[(1-methylpyrazol-4-yl)amino]butan-1-one
CID 75497371
(2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 40648018
2-methoxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113225450
N-(2-methylpropyl)-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide
CID 9348957
N-(4-acetamidophenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108956034
1-[(2S)-1-hydroxypropan-2-yl]-3-[2-(trifluoromethyl)phenyl]urea
CID 79023676
1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 19579044
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(1-methylpyrazol-4-yl)amino]-N-[2-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of (3R)-3-[(1-methylpyrazol-4-yl)amino]-N-[2-(trifluoromethyl)phenyl]butanamide (CID 99619216) is (3R)-3-[(1-methylpyrazol-4-yl)amino]-N-[2-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for (3R)-3-[(1-methylpyrazol-4-yl)amino]-N-[2-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for (3R)-3-[(1-methylpyrazol-4-yl)amino]-N-[2-(trifluoromethyl)phenyl]butanamide is C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)Nc1cnn(C)c1.
What is the InChIKey of (3R)-3-[(1-methylpyrazol-4-yl)amino]-N-[2-(trifluoromethyl)phenyl]butanamide?
The InChIKey is BMAJMDZBBOQMKM-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17F3N4O/c1-10(20-11-8-19-22(2)9-11)7-14(23)21-13-6-4-3-5-12(13)15(16,17)18/h3-6,8-10,20H,7H2,1-2H3,(H,21,23)/t10-/m1/s1.
What are the key properties of (3R)-3-[(1-methylpyrazol-4-yl)amino]-N-[2-(trifluoromethyl)phenyl]butanamide?
(3R)-3-[(1-methylpyrazol-4-yl)amino]-N-[2-(trifluoromethyl)phenyl]butanamide has a molecular weight of 326.32 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(1-methylpyrazol-4-yl)amino]-N-[2-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 99619216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).