[1-(4-fluorophenyl)-4-methoxypyrazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

C22H23FN4O3 — CID 25284334

IUPAC[1-(4-fluorophenyl)-4-methoxypyrazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2OC)CC1
InChIInChI=1S/C22H23FN4O3/c1-29-19-6-4-3-5-18(19)25-11-13-26(14-12-25)22(28)21-20(30-2)15-27(24-21)17-9-7-16(23)8-10-17/h3-10,15H,11-14H2,1-2H3
InChIKeyQETUIUNTVAFYJY-UHFFFAOYSA-N
MW410.45 g/mol
LogP2.99
Rot. Bonds5

About [1-(4-fluorophenyl)-4-methoxypyrazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

[1-(4-fluorophenyl)-4-methoxypyrazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 25284334) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-4-methoxypyrazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-4-methoxypyrazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID25284334
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC Name[1-(4-fluorophenyl)-4-methoxypyrazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2OC)CC1
InChIInChI=1S/C22H23FN4O3/c1-29-19-6-4-3-5-18(19)25-11-13-26(14-12-25)22(28)21-20(30-2)15-27(24-21)17-9-7-16(23)8-10-17/h3-10,15H,11-14H2,1-2H3
InChIKeyQETUIUNTVAFYJY-UHFFFAOYSA-N
XLogP2.99
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

CID 135308996
CID 135308996
[4-(4-fluorophenyl)piperazino][1-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanone
CID 2812819
4-methoxy-N-[(4-methoxyphenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 7992549
4-methoxy-N-(2-methoxy-5-methylphenyl)-1-phenylpyrazole-3-carboxamide
CID 7992588
(3S)-3-[2-[(2-fluorophenyl)methyl]-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridin-6-yl]-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 135308877
(3S)-3-[2-[(2,6-difluorophenyl)methyl]-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridin-6-yl]-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 135308925
(3S)-3-[2-[(3-fluorophenyl)methyl]-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridin-6-yl]-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 135308934
(3S)-3-[2-[(4-fluorophenyl)methyl]-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridin-6-yl]-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 135309005
[4-(2-methoxyphenyl)piperazino](1-phenyl-5-propyl-1H-pyrazol-4-yl)methanone
CID 2811414
(7R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-5-(2-methoxyphenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 122190397
3-Ethyl-1-(4-fluorophenyl)-6-(2-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 10690189
1-benzyl-4-fluoro-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-3-carboxamide
CID 130299021

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-4-methoxypyrazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(4-fluorophenyl)-4-methoxypyrazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 25284334) is [1-(4-fluorophenyl)-4-methoxypyrazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(4-fluorophenyl)-4-methoxypyrazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(4-fluorophenyl)-4-methoxypyrazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1ccccc1N1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2OC)CC1.
What is the InChIKey of [1-(4-fluorophenyl)-4-methoxypyrazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is QETUIUNTVAFYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-29-19-6-4-3-5-18(19)25-11-13-26(14-12-25)22(28)21-20(30-2)15-27(24-21)17-9-7-16(23)8-10-17/h3-10,15H,11-14H2,1-2H3.
What are the key properties of [1-(4-fluorophenyl)-4-methoxypyrazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
[1-(4-fluorophenyl)-4-methoxypyrazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 410.45 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-4-methoxypyrazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 25284334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).