2-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-morpholin-4-ylacetamide

C22H22F2N4O2 — CID 46974742

IUPAC2-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-morpholin-4-ylacetamide
SMILESO=C(Nc1cnn(Cc2ccccc2F)c1)C(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C22H22F2N4O2/c23-18-7-5-16(6-8-18)21(27-9-11-30-12-10-27)22(29)26-19-13-25-28(15-19)14-17-3-1-2-4-20(17)24/h1-8,13,15,21H,9-12,14H2,(H,26,29)
InChIKeyHOQLSNVNWQZIGG-UHFFFAOYSA-N
MW412.44 g/mol
LogP3.22
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-morpholin-4-ylacetamide

2-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-morpholin-4-ylacetamide (PubChem CID 46974742) has the molecular formula C22H22F2N4O2 and a molecular weight of 412.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-morpholin-4-ylacetamide
PubChem CID46974742
Molecular FormulaC22H22F2N4O2
Molecular Weight412.44 g/mol
Exact Mass412.17
IUPAC Name2-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-morpholin-4-ylacetamide
SMILESO=C(Nc1cnn(Cc2ccccc2F)c1)C(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C22H22F2N4O2/c23-18-7-5-16(6-8-18)21(27-9-11-30-12-10-27)22(29)26-19-13-25-28(15-19)14-17-3-1-2-4-20(17)24/h1-8,13,15,21H,9-12,14H2,(H,26,29)
InChIKeyHOQLSNVNWQZIGG-UHFFFAOYSA-N
XLogP3.22
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]butanamide
CID 19399998
1-[2-[[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502809
2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19533688
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2H-chromene-3-carboxamide
CID 75538254
(2R)-N-[2-(2-fluorophenyl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 97192696
(2S)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)-2-morpholin-4-ylacetamide
CID 93242397
3-(2-fluorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 51181050
(3S)-3-cyano-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]piperidine-1-carboxamide
CID 126449376
1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3-propan-2-ylthiourea
CID 17378592
1-butan-2-yl-3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]thiourea
CID 19343281
2-(4-chlorophenyl)-2-morpholin-4-yl-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 46977302
(2S)-2-(2-ethylbenzimidazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 92628096

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-morpholin-4-ylacetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-morpholin-4-ylacetamide (CID 46974742) is 2-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-morpholin-4-ylacetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-morpholin-4-ylacetamide is O=C(Nc1cnn(Cc2ccccc2F)c1)C(c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-morpholin-4-ylacetamide?
The InChIKey is HOQLSNVNWQZIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O2/c23-18-7-5-16(6-8-18)21(27-9-11-30-12-10-27)22(29)26-19-13-25-28(15-19)14-17-3-1-2-4-20(17)24/h1-8,13,15,21H,9-12,14H2,(H,26,29).
What are the key properties of 2-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-morpholin-4-ylacetamide?
2-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-morpholin-4-ylacetamide has a molecular weight of 412.44 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 46974742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).