N-[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyrazol-1-ylpropanamide

C15H16F3N3O2 — CID 97227808

IUPACN-[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyrazol-1-ylpropanamide
SMILESO=C(CCn1cccn1)NC[C@H](O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H16F3N3O2/c16-15(17,18)12-4-1-3-11(9-12)13(22)10-19-14(23)5-8-21-7-2-6-20-21/h1-4,6-7,9,13,22H,5,8,10H2,(H,19,23)/t13-/m0/s1
InChIKeyYOKNPJFWOFOMDG-ZDUSSCGKSA-N
MW327.31 g/mol
LogP2.14
Rot. Bonds6

About N-[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyrazol-1-ylpropanamide

N-[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyrazol-1-ylpropanamide (PubChem CID 97227808) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyrazol-1-ylpropanamide
PubChem CID97227808
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC NameN-[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyrazol-1-ylpropanamide
SMILESO=C(CCn1cccn1)NC[C@H](O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H16F3N3O2/c16-15(17,18)12-4-1-3-11(9-12)13(22)10-19-14(23)5-8-21-7-2-6-20-21/h1-4,6-7,9,13,22H,5,8,10H2,(H,19,23)/t13-/m0/s1
InChIKeyYOKNPJFWOFOMDG-ZDUSSCGKSA-N
XLogP2.14
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-pyrazol-1-ylpropanamide
CID 97227838
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-2-propylsulfanylacetamide
CID 111108741
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-2-propoxyacetamide
CID 111108654
N-[(2S)-2-phenylpropyl]-3-pyrazol-1-ylpropanamide
CID 92707865
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 56783587
N-(2-hydroxy-2-phenylethyl)-3-(triazol-1-yl)propanamide
CID 43501203
2-[(1-methylpyrazol-4-yl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 79770392
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 102602799
1-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-prop-2-ynylurea
CID 111108600
1-cyclopropyl-3-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 111108599
N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-4-pyrazol-1-ylbutanamide
CID 118775554
5-chloro-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]pyridine-2-carboxamide
CID 111434796

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyrazol-1-ylpropanamide (CID 97227808) is N-[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyrazol-1-ylpropanamide is O=C(CCn1cccn1)NC[C@H](O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyrazol-1-ylpropanamide?
The InChIKey is YOKNPJFWOFOMDG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H16F3N3O2/c16-15(17,18)12-4-1-3-11(9-12)13(22)10-19-14(23)5-8-21-7-2-6-20-21/h1-4,6-7,9,13,22H,5,8,10H2,(H,19,23)/t13-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyrazol-1-ylpropanamide?
N-[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyrazol-1-ylpropanamide has a molecular weight of 327.31 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 97227808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).