2-[4-[4-(2-fluorophenyl)butan-2-ylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide

C17H23FN4O2 — CID 110017479

IUPAC2-[4-[4-(2-fluorophenyl)butan-2-ylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
SMILESCC(CCc1ccccc1F)Nc1cnn(CC(=O)NCCO)c1
InChIInChI=1S/C17H23FN4O2/c1-13(6-7-14-4-2-3-5-16(14)18)21-15-10-20-22(11-15)12-17(24)19-8-9-23/h2-5,10-11,13,21,23H,6-9,12H2,1H3,(H,19,24)
InChIKeyIHKWUENPKDWJFV-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.56
Rot. Bonds9

About 2-[4-[4-(2-fluorophenyl)butan-2-ylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide

2-[4-[4-(2-fluorophenyl)butan-2-ylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide (PubChem CID 110017479) has the molecular formula C17H23FN4O2 and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-[4-[4-(2-fluorophenyl)butan-2-ylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-[4-(2-fluorophenyl)butan-2-ylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
PubChem CID110017479
Molecular FormulaC17H23FN4O2
Molecular Weight334.40 g/mol
Exact Mass334.18
IUPAC Name2-[4-[4-(2-fluorophenyl)butan-2-ylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
SMILESCC(CCc1ccccc1F)Nc1cnn(CC(=O)NCCO)c1
InChIInChI=1S/C17H23FN4O2/c1-13(6-7-14-4-2-3-5-16(14)18)21-15-10-20-22(11-15)12-17(24)19-8-9-23/h2-5,10-11,13,21,23H,6-9,12H2,1H3,(H,19,24)
InChIKeyIHKWUENPKDWJFV-UHFFFAOYSA-N
XLogP1.56
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[1-(4-fluorophenyl)propan-2-ylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 110017463
2-[4-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 110017430
2-[4-[1-(2-chlorophenyl)ethylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 110017432
2-[4-(3,3-dimethylbutan-2-ylamino)pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 110017445
N-(2-hydroxyethyl)-2-[4-[1-(5-methylfuran-2-yl)ethylamino]pyrazol-1-yl]acetamide
CID 110017434
2-(4-aminopyrazol-1-yl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 43445345
N-(2-hydroxyethyl)-2-[4-(3-methylpentan-2-ylamino)pyrazol-1-yl]acetamide
CID 110017451
N-(2-hydroxyethyl)-2-[4-(1-naphthalen-2-ylethylamino)pyrazol-1-yl]acetamide
CID 110017473
2-[4-[(5-chloro-2-fluorophenyl)methylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 110017147
N-[1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 92632302
N-(2-hydroxyethyl)-2-[4-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]pyrazol-1-yl]acetamide
CID 110017438
N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-propylpyrazol-4-amine
CID 99825558

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-fluorophenyl)butan-2-ylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-[4-[4-(2-fluorophenyl)butan-2-ylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide (CID 110017479) is 2-[4-[4-(2-fluorophenyl)butan-2-ylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-[4-[4-(2-fluorophenyl)butan-2-ylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-[4-[4-(2-fluorophenyl)butan-2-ylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide is CC(CCc1ccccc1F)Nc1cnn(CC(=O)NCCO)c1.
What is the InChIKey of 2-[4-[4-(2-fluorophenyl)butan-2-ylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide?
The InChIKey is IHKWUENPKDWJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O2/c1-13(6-7-14-4-2-3-5-16(14)18)21-15-10-20-22(11-15)12-17(24)19-8-9-23/h2-5,10-11,13,21,23H,6-9,12H2,1H3,(H,19,24).
What are the key properties of 2-[4-[4-(2-fluorophenyl)butan-2-ylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide?
2-[4-[4-(2-fluorophenyl)butan-2-ylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 334.40 g/mol, XLogP of 1.56, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2-fluorophenyl)butan-2-ylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 110017479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).