N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide

C22H22F3N3O3 — CID 166010602

IUPACN-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
SMILESCc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1ccn[nH]1
InChIInChI=1S/C22H22F3N3O3/c1-15-4-2-3-5-16(15)12-28(21(30)20-10-11-26-27-20)13-18(29)14-31-19-8-6-17(7-9-19)22(23,24)25/h2-11,18,29H,12-14H2,1H3,(H,26,27)
InChIKeyNOBZVXHBCRAYST-UHFFFAOYSA-N
MW433.43 g/mol
LogP3.82
Rot. Bonds8

About N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide

N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 166010602) has the molecular formula C22H22F3N3O3 and a molecular weight of 433.43 g/mol. Its IUPAC name is N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID166010602
Molecular FormulaC22H22F3N3O3
Molecular Weight433.43 g/mol
Exact Mass433.16
IUPAC NameN-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
SMILESCc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1ccn[nH]1
InChIInChI=1S/C22H22F3N3O3/c1-15-4-2-3-5-16(15)12-28(21(30)20-10-11-26-27-20)13-18(29)14-31-19-8-6-17(7-9-19)22(23,24)25/h2-11,18,29H,12-14H2,1H3,(H,26,27)
InChIKeyNOBZVXHBCRAYST-UHFFFAOYSA-N
XLogP3.82
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.43
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-{[cis-4-(2-Phenoxyethyl)cyclohexyl]methyl}-1H-pyrazole-5-carboxamide
CID 44442104
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CID 46948389
3-(4-ethoxy-2-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 49790025
N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]-1H-pyrazole-5-carboxamide
CID 66635032
[2-(4-fluorophenyl)morpholin-4-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 56750315
1H-pyrazol-5-yl-[7-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone
CID 71183722
trans-4-ethoxy-1-{[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]carbonyl}pyrrolidin-3-ol
CID 91761105
N-[2-(tert-butylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 3221279
N-[2-(4-fluorophenoxy)ethyl]-5-phenyl-1H-pyrazole-3-carboxamide
CID 36484131
1H-pyrazol-5-yl-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone
CID 70758506
N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-1H-pyrazole-5-carboxamide
CID 72009265
N-[(S)-cyano-(4-phenylmethoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 95301412

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide (CID 166010602) is N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide is Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1ccn[nH]1.
What is the InChIKey of N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is NOBZVXHBCRAYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O3/c1-15-4-2-3-5-16(15)12-28(21(30)20-10-11-26-27-20)13-18(29)14-31-19-8-6-17(7-9-19)22(23,24)25/h2-11,18,29H,12-14H2,1H3,(H,26,27).
What are the key properties of N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide?
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 433.43 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 166010602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).