N-[(2R)-2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-pyrazol-1-ylpropanamide

C18H25N3O2 — CID 97227838

IUPACN-[(2R)-2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-pyrazol-1-ylpropanamide
SMILESCC(C)(C)c1ccc([C@@H](O)CNC(=O)CCn2cccn2)cc1
InChIInChI=1S/C18H25N3O2/c1-18(2,3)15-7-5-14(6-8-15)16(22)13-19-17(23)9-12-21-11-4-10-20-21/h4-8,10-11,16,22H,9,12-13H2,1-3H3,(H,19,23)/t16-/m0/s1
InChIKeyYXGYSNHTKOROMX-INIZCTEOSA-N
MW315.42 g/mol
LogP2.42
Rot. Bonds6

About N-[(2R)-2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-pyrazol-1-ylpropanamide

N-[(2R)-2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-pyrazol-1-ylpropanamide (PubChem CID 97227838) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[(2R)-2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-pyrazol-1-ylpropanamide
PubChem CID97227838
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[(2R)-2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-pyrazol-1-ylpropanamide
SMILESCC(C)(C)c1ccc([C@@H](O)CNC(=O)CCn2cccn2)cc1
InChIInChI=1S/C18H25N3O2/c1-18(2,3)15-7-5-14(6-8-15)16(22)13-19-17(23)9-12-21-11-4-10-20-21/h4-8,10-11,16,22H,9,12-13H2,1-3H3,(H,19,23)/t16-/m0/s1
InChIKeyYXGYSNHTKOROMX-INIZCTEOSA-N
XLogP2.42
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyrazol-1-ylpropanamide
CID 97227808
3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]propanamide;hydrochloride
CID 119328649
N-[(2S)-2-phenylpropyl]-3-pyrazol-1-ylpropanamide
CID 92707865
4-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]butanamide;hydrochloride
CID 119328673
N-(2-hydroxy-2-phenylethyl)-3-(triazol-1-yl)propanamide
CID 43501203
1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-ethylurea
CID 111422305
1-(4-tert-butylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 61459928
3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]butanamide
CID 119792655
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1-methylpyrazole-4-carboxamide
CID 111422596
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]pyridine-2-carboxamide
CID 111422570
1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea
CID 111422275
(3S)-5-methyl-3-[(3-pyrazol-1-ylpropanoylamino)methyl]hexanoic acid
CID 65493688

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-[(2R)-2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-pyrazol-1-ylpropanamide (CID 97227838) is N-[(2R)-2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[(2R)-2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[(2R)-2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-pyrazol-1-ylpropanamide is CC(C)(C)c1ccc([C@@H](O)CNC(=O)CCn2cccn2)cc1.
What is the InChIKey of N-[(2R)-2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-pyrazol-1-ylpropanamide?
The InChIKey is YXGYSNHTKOROMX-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-18(2,3)15-7-5-14(6-8-15)16(22)13-19-17(23)9-12-21-11-4-10-20-21/h4-8,10-11,16,22H,9,12-13H2,1-3H3,(H,19,23)/t16-/m0/s1.
What are the key properties of N-[(2R)-2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-pyrazol-1-ylpropanamide?
N-[(2R)-2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-pyrazol-1-ylpropanamide has a molecular weight of 315.42 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 97227838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).