N-[(2-fluoro-4-hydroxyphenyl)methyl]-5-methyl-N-[2-(oxolan-3-yl)ethyl]-1H-pyrazole-3-carboxamide

C18H22FN3O3 — CID 155456517

IUPACN-[(2-fluoro-4-hydroxyphenyl)methyl]-5-methyl-N-[2-(oxolan-3-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(CCC2CCOC2)Cc2ccc(O)cc2F)n[nH]1
InChIInChI=1S/C18H22FN3O3/c1-12-8-17(21-20-12)18(24)22(6-4-13-5-7-25-11-13)10-14-2-3-15(23)9-16(14)19/h2-3,8-9,13,23H,4-7,10-11H2,1H3,(H,20,21)
InChIKeyFNKSMSSKGVXWIH-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.63
Rot. Bonds6

About N-[(2-fluoro-4-hydroxyphenyl)methyl]-5-methyl-N-[2-(oxolan-3-yl)ethyl]-1H-pyrazole-3-carboxamide

N-[(2-fluoro-4-hydroxyphenyl)methyl]-5-methyl-N-[2-(oxolan-3-yl)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 155456517) has the molecular formula C18H22FN3O3 and a molecular weight of 347.39 g/mol. Its IUPAC name is N-[(2-fluoro-4-hydroxyphenyl)methyl]-5-methyl-N-[2-(oxolan-3-yl)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluoro-4-hydroxyphenyl)methyl]-5-methyl-N-[2-(oxolan-3-yl)ethyl]-1H-pyrazole-3-carboxamide
PubChem CID155456517
Molecular FormulaC18H22FN3O3
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC NameN-[(2-fluoro-4-hydroxyphenyl)methyl]-5-methyl-N-[2-(oxolan-3-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(CCC2CCOC2)Cc2ccc(O)cc2F)n[nH]1
InChIInChI=1S/C18H22FN3O3/c1-12-8-17(21-20-12)18(24)22(6-4-13-5-7-25-11-13)10-14-2-3-15(23)9-16(14)19/h2-3,8-9,13,23H,4-7,10-11H2,1H3,(H,20,21)
InChIKeyFNKSMSSKGVXWIH-UHFFFAOYSA-N
XLogP2.63
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluoro-4-hydroxyphenyl)methyl]-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide
CID 118552832
N-(2-cyclohexylethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 118552874
5-chloro-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide
CID 73212663
N-(cyclobutylmethyl)-5-cyclopropyl-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide
CID 73212665
N-[(2-aminopyrimidin-4-yl)methyl]-5-methyl-N-(oxetan-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 118552783
4-[2-(oxolan-3-yl)ethyl]benzene-1,3-diol
CID 44611839
N-[(2-fluorophenyl)methyl]-N-[2-(1-methylsulfinylpiperidin-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 130313304
N-[2-(1,1-dioxothiolan-3-yl)ethyl]-5-methyl-N-(1,3-thiazol-5-ylmethyl)-1H-pyrazole-3-carboxamide
CID 118552811
N-(cyclobutylmethyl)-N-[(2-fluoro-4-methylphenyl)methyl]-5-isocyano-1H-pyrazole-3-carboxamide
CID 162101535
N-[2-(diethylamino)ethyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-3-carboxamide
CID 123757607
5-(difluoromethyl)-N-[2-(oxolan-3-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 121495779
N-[(3-fluorophenyl)methyl]-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 94364646

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4-hydroxyphenyl)methyl]-5-methyl-N-[2-(oxolan-3-yl)ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(2-fluoro-4-hydroxyphenyl)methyl]-5-methyl-N-[2-(oxolan-3-yl)ethyl]-1H-pyrazole-3-carboxamide (CID 155456517) is N-[(2-fluoro-4-hydroxyphenyl)methyl]-5-methyl-N-[2-(oxolan-3-yl)ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(2-fluoro-4-hydroxyphenyl)methyl]-5-methyl-N-[2-(oxolan-3-yl)ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(2-fluoro-4-hydroxyphenyl)methyl]-5-methyl-N-[2-(oxolan-3-yl)ethyl]-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)N(CCC2CCOC2)Cc2ccc(O)cc2F)n[nH]1.
What is the InChIKey of N-[(2-fluoro-4-hydroxyphenyl)methyl]-5-methyl-N-[2-(oxolan-3-yl)ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is FNKSMSSKGVXWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3/c1-12-8-17(21-20-12)18(24)22(6-4-13-5-7-25-11-13)10-14-2-3-15(23)9-16(14)19/h2-3,8-9,13,23H,4-7,10-11H2,1H3,(H,20,21).
What are the key properties of N-[(2-fluoro-4-hydroxyphenyl)methyl]-5-methyl-N-[2-(oxolan-3-yl)ethyl]-1H-pyrazole-3-carboxamide?
N-[(2-fluoro-4-hydroxyphenyl)methyl]-5-methyl-N-[2-(oxolan-3-yl)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 347.39 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-4-hydroxyphenyl)methyl]-5-methyl-N-[2-(oxolan-3-yl)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 155456517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).