2-(4-cyclobutyloxyphenyl)-N-[1-[(5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]acetamide

C21H21FN4O2 — CID 118560470

IUPAC2-(4-cyclobutyloxyphenyl)-N-[1-[(5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]acetamide
SMILESO=C(Cc1ccc(OC2CCC2)cc1)Nc1ccn(Cc2ccc(F)cn2)n1
InChIInChI=1S/C21H21FN4O2/c22-16-6-7-17(23-13-16)14-26-11-10-20(25-26)24-21(27)12-15-4-8-19(9-5-15)28-18-2-1-3-18/h4-11,13,18H,1-3,12,14H2,(H,24,25,27)
InChIKeyTXTYXLUWCYYQAG-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.58
Rot. Bonds7

About 2-(4-cyclobutyloxyphenyl)-N-[1-[(5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]acetamide

2-(4-cyclobutyloxyphenyl)-N-[1-[(5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]acetamide (PubChem CID 118560470) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 2-(4-cyclobutyloxyphenyl)-N-[1-[(5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-cyclobutyloxyphenyl)-N-[1-[(5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]acetamide
PubChem CID118560470
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name2-(4-cyclobutyloxyphenyl)-N-[1-[(5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]acetamide
SMILESO=C(Cc1ccc(OC2CCC2)cc1)Nc1ccn(Cc2ccc(F)cn2)n1
InChIInChI=1S/C21H21FN4O2/c22-16-6-7-17(23-13-16)14-26-11-10-20(25-26)24-21(27)12-15-4-8-19(9-5-15)28-18-2-1-3-18/h4-11,13,18H,1-3,12,14H2,(H,24,25,27)
InChIKeyTXTYXLUWCYYQAG-UHFFFAOYSA-N
XLogP3.58
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-propan-2-ylphenyl)-N-[1-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazol-3-yl]acetamide
CID 126740640
N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-[1-(fluoromethyl)cyclopropyl]phenyl]acetamide
CID 170649386
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-(4-pyridin-2-ylphenyl)acetamide
CID 118560230
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-[4-(5-methylpyrimidin-4-yl)phenyl]acetamide
CID 118560359
N-[1-[[4-(difluoromethoxy)phenyl]methyl]pyrazol-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]acetamide
CID 126740614
4-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19285013
2-[6-[cyclopropylmethyl(methyl)amino]-3-pyridinyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 126740678
(4-cyclopropyloxyphenyl)-(5-fluoro-2-pyridinyl)methanone
CID 114518914
3-(4-cyclopentyloxyphenyl)-2-oxopropanoic acid
CID 82161370
2-(4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19283650
N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
CID 118560580
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 19285254

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclobutyloxyphenyl)-N-[1-[(5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-(4-cyclobutyloxyphenyl)-N-[1-[(5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]acetamide (CID 118560470) is 2-(4-cyclobutyloxyphenyl)-N-[1-[(5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(4-cyclobutyloxyphenyl)-N-[1-[(5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(4-cyclobutyloxyphenyl)-N-[1-[(5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]acetamide is O=C(Cc1ccc(OC2CCC2)cc1)Nc1ccn(Cc2ccc(F)cn2)n1.
What is the InChIKey of 2-(4-cyclobutyloxyphenyl)-N-[1-[(5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]acetamide?
The InChIKey is TXTYXLUWCYYQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c22-16-6-7-17(23-13-16)14-26-11-10-20(25-26)24-21(27)12-15-4-8-19(9-5-15)28-18-2-1-3-18/h4-11,13,18H,1-3,12,14H2,(H,24,25,27).
What are the key properties of 2-(4-cyclobutyloxyphenyl)-N-[1-[(5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]acetamide?
2-(4-cyclobutyloxyphenyl)-N-[1-[(5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]acetamide has a molecular weight of 380.42 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclobutyloxyphenyl)-N-[1-[(5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 118560470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).