N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1-methylpyrazole-4-carboxamide

C14H16FN3O3 — CID 111110961

IUPACN-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC(O)COc2ccc(F)cc2)cn1
InChIInChI=1S/C14H16FN3O3/c1-18-8-10(6-17-18)14(20)16-7-12(19)9-21-13-4-2-11(15)3-5-13/h2-6,8,12,19H,7,9H2,1H3,(H,16,20)
InChIKeyKHZNOEAJPIQMBK-UHFFFAOYSA-N
MW293.30 g/mol
LogP0.73
Rot. Bonds6

About N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1-methylpyrazole-4-carboxamide

N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1-methylpyrazole-4-carboxamide (PubChem CID 111110961) has the molecular formula C14H16FN3O3 and a molecular weight of 293.30 g/mol. Its IUPAC name is N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1-methylpyrazole-4-carboxamide
PubChem CID111110961
Molecular FormulaC14H16FN3O3
Molecular Weight293.30 g/mol
Exact Mass293.12
IUPAC NameN-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC(O)COc2ccc(F)cc2)cn1
InChIInChI=1S/C14H16FN3O3/c1-18-8-10(6-17-18)14(20)16-7-12(19)9-21-13-4-2-11(15)3-5-13/h2-6,8,12,19H,7,9H2,1H3,(H,16,20)
InChIKeyKHZNOEAJPIQMBK-UHFFFAOYSA-N
XLogP0.73
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 111110946
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylpyridine-3-carboxamide
CID 111477320
3-fluoro-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylbenzamide
CID 111477313
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]quinoline-6-carboxamide
CID 110911243
2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylpropanamide
CID 119304994
3-(dimethylamino)-N-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]benzamide
CID 95180097
2-ethyl-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1,3-thiazole-5-carboxamide
CID 110907802
1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide
CID 103723314
methyl 2-hydroxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoate
CID 103879149
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2,6-dimethylpyridine-3-carboxamide
CID 111110985
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3H-benzimidazole-5-carboxamide
CID 111110998
N-[(2S)-2-(3-fluorophenoxy)butyl]-1-methylpyrazole-4-carboxamide
CID 97018596

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1-methylpyrazole-4-carboxamide (CID 111110961) is N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NCC(O)COc2ccc(F)cc2)cn1.
What is the InChIKey of N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is KHZNOEAJPIQMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O3/c1-18-8-10(6-17-18)14(20)16-7-12(19)9-21-13-4-2-11(15)3-5-13/h2-6,8,12,19H,7,9H2,1H3,(H,16,20).
What are the key properties of N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1-methylpyrazole-4-carboxamide?
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 293.30 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 111110961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).