2-(dimethylamino)-N-[4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]acetamide

C20H22FN5O2 — CID 139391901

IUPAC2-(dimethylamino)-N-[4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]acetamide
SMILESCc1cc(NC(=O)CN(C)C)ccc1Nc1cc(-c2ccc(O)c(F)c2)[nH]n1
InChIInChI=1S/C20H22FN5O2/c1-12-8-14(22-20(28)11-26(2)3)5-6-16(12)23-19-10-17(24-25-19)13-4-7-18(27)15(21)9-13/h4-10,27H,11H2,1-3H3,(H,22,28)(H2,23,24,25)
InChIKeyKFAPFUULYUESCX-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.47
Rot. Bonds6

About 2-(dimethylamino)-N-[4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]acetamide

2-(dimethylamino)-N-[4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]acetamide (PubChem CID 139391901) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]acetamide
PubChem CID139391901
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC Name2-(dimethylamino)-N-[4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]acetamide
SMILESCc1cc(NC(=O)CN(C)C)ccc1Nc1cc(-c2ccc(O)c(F)c2)[nH]n1
InChIInChI=1S/C20H22FN5O2/c1-12-8-14(22-20(28)11-26(2)3)5-6-16(12)23-19-10-17(24-25-19)13-4-7-18(27)15(21)9-13/h4-10,27H,11H2,1-3H3,(H,22,28)(H2,23,24,25)
InChIKeyKFAPFUULYUESCX-UHFFFAOYSA-N
XLogP3.47
TPSA93.28 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[5-[4-(2-fluoro-5-methoxyphenyl)phenyl]-1H-pyrazol-3-yl]amino]-3-methylphenyl]carbamic acid
CID 139391803
N-[3-methyl-4-[[5-[4-(4-methylpyrazol-1-yl)phenyl]-1H-pyrazol-3-yl]amino]phenyl]acetamide
CID 139405494
N-(4-chloro-2-methylphenyl)-2-(dimethylamino)acetamide
CID 25250427
2-acetamido-N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]acetamide
CID 131890191
N-(3-fluoro-4-hydroxyphenyl)-2-(3-methyl-2-pyridinyl)acetamide
CID 107148151
N-(3-fluoro-4-hydroxyphenyl)-3-(2-methylphenyl)propanamide
CID 64781649
N-[6-(2,4-dimethylanilino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113016779
2-(dimethylamino)-N-naphthalen-2-ylacetamide
CID 54844205
2-(2,4-dimethoxyphenyl)-N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]acetamide
CID 131951466
N-[3-(carbamothioylamino)-4-methylphenyl]-2-(dimethylamino)acetamide
CID 169356345
N-(3-fluoro-4-hydroxyphenyl)-3-(4-methylphenyl)propanamide
CID 64780504
3-(3-fluoro-4-hydroxyanilino)-3-oxopropanoic acid
CID 64782793

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]acetamide (CID 139391901) is 2-(dimethylamino)-N-[4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]acetamide is Cc1cc(NC(=O)CN(C)C)ccc1Nc1cc(-c2ccc(O)c(F)c2)[nH]n1.
What is the InChIKey of 2-(dimethylamino)-N-[4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]acetamide?
The InChIKey is KFAPFUULYUESCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O2/c1-12-8-14(22-20(28)11-26(2)3)5-6-16(12)23-19-10-17(24-25-19)13-4-7-18(27)15(21)9-13/h4-10,27H,11H2,1-3H3,(H,22,28)(H2,23,24,25).
What are the key properties of 2-(dimethylamino)-N-[4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]acetamide?
2-(dimethylamino)-N-[4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]acetamide has a molecular weight of 383.43 g/mol, XLogP of 3.47, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]acetamide is sourced from PubChem (CID 139391901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).