N-[(2,4-dihydroxyphenyl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide

C18H16FN3O4 — CID 56744159

IUPACN-[(2,4-dihydroxyphenyl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NCc1ccc(O)cc1O)c1cc(COc2ccccc2F)[nH]n1
InChIInChI=1S/C18H16FN3O4/c19-14-3-1-2-4-17(14)26-10-12-7-15(22-21-12)18(25)20-9-11-5-6-13(23)8-16(11)24/h1-8,23-24H,9-10H2,(H,20,25)(H,21,22)
InChIKeySEQBHSBNYVEMKF-UHFFFAOYSA-N
MW357.34 g/mol
LogP2.47
Rot. Bonds6

About N-[(2,4-dihydroxyphenyl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide

N-[(2,4-dihydroxyphenyl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 56744159) has the molecular formula C18H16FN3O4 and a molecular weight of 357.34 g/mol. Its IUPAC name is N-[(2,4-dihydroxyphenyl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dihydroxyphenyl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
PubChem CID56744159
Molecular FormulaC18H16FN3O4
Molecular Weight357.34 g/mol
Exact Mass357.11
IUPAC NameN-[(2,4-dihydroxyphenyl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NCc1ccc(O)cc1O)c1cc(COc2ccccc2F)[nH]n1
InChIInChI=1S/C18H16FN3O4/c19-14-3-1-2-4-17(14)26-10-12-7-15(22-21-12)18(25)20-9-11-5-6-13(23)8-16(11)24/h1-8,23-24H,9-10H2,(H,20,25)(H,21,22)
InChIKeySEQBHSBNYVEMKF-UHFFFAOYSA-N
XLogP2.47
TPSA107.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 52.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze N-[(2,4-dihydroxyphenyl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2-fluorophenoxy)methyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-3-carboxamide
CID 56755768
5-[(2,4-difluorophenoxy)methyl]-N-(pyrimidin-4-ylmethyl)-1H-pyrazole-3-carboxamide
CID 42519546
5-[(2-fluorophenoxy)methyl]-N-[2-[(2S)-oxan-2-yl]ethyl]-1H-pyrazole-3-carboxamide
CID 25274700
N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 56749691
5-[(2-hydroxyphenoxy)methyl]-1H-pyrazole-3-carboxylic acid
CID 117215961
N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 42596640
N-(3-hydroxypropyl)-5-[(2-methoxyphenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 56760151
5-[(2-fluorophenoxy)methyl]-N-(2-hydroxy-1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide
CID 56759685
5-[(2-fluorophenoxy)methyl]-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]-1H-pyrazole-3-carboxamide
CID 95401315
5-[(2-methoxyphenoxy)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 42148026
5-[(2-fluorophenoxy)methyl]-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1H-pyrazole-3-carboxamide
CID 56747841
N-(2-hydroxypropyl)-5-[(2-methoxyphenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 56749610

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dihydroxyphenyl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(2,4-dihydroxyphenyl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide (CID 56744159) is N-[(2,4-dihydroxyphenyl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(2,4-dihydroxyphenyl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(2,4-dihydroxyphenyl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide is O=C(NCc1ccc(O)cc1O)c1cc(COc2ccccc2F)[nH]n1.
What is the InChIKey of N-[(2,4-dihydroxyphenyl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is SEQBHSBNYVEMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O4/c19-14-3-1-2-4-17(14)26-10-12-7-15(22-21-12)18(25)20-9-11-5-6-13(23)8-16(11)24/h1-8,23-24H,9-10H2,(H,20,25)(H,21,22).
What are the key properties of N-[(2,4-dihydroxyphenyl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide?
N-[(2,4-dihydroxyphenyl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 357.34 g/mol, XLogP of 2.47, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dihydroxyphenyl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56744159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).