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

C16H21FN4O2 — CID 110017463

IUPAC2-[4-[1-(4-fluorophenyl)propan-2-ylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
SMILESCC(Cc1ccc(F)cc1)Nc1cnn(CC(=O)NCCO)c1
InChIInChI=1S/C16H21FN4O2/c1-12(8-13-2-4-14(17)5-3-13)20-15-9-19-21(10-15)11-16(23)18-6-7-22/h2-5,9-10,12,20,22H,6-8,11H2,1H3,(H,18,23)
InChIKeySZKDCLYGXHGUAW-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.17
Rot. Bonds8

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

2-[4-[1-(4-fluorophenyl)propan-2-ylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide (PubChem CID 110017463) has the molecular formula C16H21FN4O2 and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-[4-[1-(4-fluorophenyl)propan-2-ylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-[1-(4-fluorophenyl)propan-2-ylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
PubChem CID110017463
Molecular FormulaC16H21FN4O2
Molecular Weight320.37 g/mol
Exact Mass320.16
IUPAC Name2-[4-[1-(4-fluorophenyl)propan-2-ylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
SMILESCC(Cc1ccc(F)cc1)Nc1cnn(CC(=O)NCCO)c1
InChIInChI=1S/C16H21FN4O2/c1-12(8-13-2-4-14(17)5-3-13)20-15-9-19-21(10-15)11-16(23)18-6-7-22/h2-5,9-10,12,20,22H,6-8,11H2,1H3,(H,18,23)
InChIKeySZKDCLYGXHGUAW-UHFFFAOYSA-N
XLogP1.17
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 110017430
1-ethyl-N-[1-(4-fluorophenyl)propan-2-yl]pyrazol-4-amine
CID 115922678
2-[4-[4-(2-fluorophenyl)butan-2-ylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 110017479
2-[4-(3,3-dimethylbutan-2-ylamino)pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 110017445
N-(2-hydroxyethyl)-2-[4-(3-methylpentan-2-ylamino)pyrazol-1-yl]acetamide
CID 110017451
N-(2-hydroxyethyl)-2-[4-[1-(5-methylfuran-2-yl)ethylamino]pyrazol-1-yl]acetamide
CID 110017434
2-[4-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 110017108
2-[4-[1-(2-chlorophenyl)ethylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 110017432
N-(2-hydroxyethyl)-2-[4-(1-naphthalen-2-ylethylamino)pyrazol-1-yl]acetamide
CID 110017473
N-(2-hydroxyethyl)-2-[4-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]pyrazol-1-yl]acetamide
CID 110017438
2-[4-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 110017465
2-[4-[(5-chloro-2-fluorophenyl)methylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 110017147

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4-fluorophenyl)propan-2-ylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-[4-[1-(4-fluorophenyl)propan-2-ylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide (CID 110017463) is 2-[4-[1-(4-fluorophenyl)propan-2-ylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-[4-[1-(4-fluorophenyl)propan-2-ylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-[4-[1-(4-fluorophenyl)propan-2-ylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide is CC(Cc1ccc(F)cc1)Nc1cnn(CC(=O)NCCO)c1.
What is the InChIKey of 2-[4-[1-(4-fluorophenyl)propan-2-ylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide?
The InChIKey is SZKDCLYGXHGUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O2/c1-12(8-13-2-4-14(17)5-3-13)20-15-9-19-21(10-15)11-16(23)18-6-7-22/h2-5,9-10,12,20,22H,6-8,11H2,1H3,(H,18,23).
What are the key properties of 2-[4-[1-(4-fluorophenyl)propan-2-ylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide?
2-[4-[1-(4-fluorophenyl)propan-2-ylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 320.37 g/mol, XLogP of 1.17, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-fluorophenyl)propan-2-ylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 110017463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).