N-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]-1-propan-2-ylpyrazole-4-carboxamide

C21H23N3O3 — CID 70770365

IUPACN-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)NCC(O)c2cccc(Oc3ccccc3)c2)cn1
InChIInChI=1S/C21H23N3O3/c1-15(2)24-14-17(12-23-24)21(26)22-13-20(25)16-7-6-10-19(11-16)27-18-8-4-3-5-9-18/h3-12,14-15,20,25H,13H2,1-2H3,(H,22,26)
InChIKeyJQOLBPAJIKQASK-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.72
Rot. Bonds7

About N-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]-1-propan-2-ylpyrazole-4-carboxamide

N-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 70770365) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID70770365
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)NCC(O)c2cccc(Oc3ccccc3)c2)cn1
InChIInChI=1S/C21H23N3O3/c1-15(2)24-14-17(12-23-24)21(26)22-13-20(25)16-7-6-10-19(11-16)27-18-8-4-3-5-9-18/h3-12,14-15,20,25H,13H2,1-2H3,(H,22,26)
InChIKeyJQOLBPAJIKQASK-UHFFFAOYSA-N
XLogP3.72
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-anilino-N-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 97444562
N-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]-1-methylpiperidine-4-carboxamide
CID 74241723
1-methyl-N-(3-methyl-2-phenylbutyl)pyrazole-4-carboxamide
CID 86981269
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-pyrazol-1-ylbenzamide
CID 111115502
1-[3-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]propan-1-one
CID 114079106
4-(aminomethyl)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 119328600
3-methyl-1-(3-phenoxyphenyl)butan-1-ol
CID 63893717
N,1-di(propan-2-yl)pyrazole-4-carboxamide
CID 177272297
N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 6542363
N-[(2S)-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide
CID 83030878
N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
CID 2812769
1-[1-[[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19504909

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 70770365) is N-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1cc(C(=O)NCC(O)c2cccc(Oc3ccccc3)c2)cn1.
What is the InChIKey of N-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is JQOLBPAJIKQASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-15(2)24-14-17(12-23-24)21(26)22-13-20(25)16-7-6-10-19(11-16)27-18-8-4-3-5-9-18/h3-12,14-15,20,25H,13H2,1-2H3,(H,22,26).
What are the key properties of N-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]-1-propan-2-ylpyrazole-4-carboxamide?
N-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 70770365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).