2-[4-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide

C14H18FN5O2 — CID 110017430

IUPAC2-[4-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
SMILESCC(Nc1cnn(CC(=O)NCCO)c1)c1ccc(F)cn1
InChIInChI=1S/C14H18FN5O2/c1-10(13-3-2-11(15)6-17-13)19-12-7-18-20(8-12)9-14(22)16-4-5-21/h2-3,6-8,10,19,21H,4-5,9H2,1H3,(H,16,22)
InChIKeyFXZXGBKCOWQXLX-UHFFFAOYSA-N
MW307.33 g/mol
LogP0.70
Rot. Bonds7

About 2-[4-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide

2-[4-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide (PubChem CID 110017430) has the molecular formula C14H18FN5O2 and a molecular weight of 307.33 g/mol. Its IUPAC name is 2-[4-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
PubChem CID110017430
Molecular FormulaC14H18FN5O2
Molecular Weight307.33 g/mol
Exact Mass307.14
IUPAC Name2-[4-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
SMILESCC(Nc1cnn(CC(=O)NCCO)c1)c1ccc(F)cn1
InChIInChI=1S/C14H18FN5O2/c1-10(13-3-2-11(15)6-17-13)19-12-7-18-20(8-12)9-14(22)16-4-5-21/h2-3,6-8,10,19,21H,4-5,9H2,1H3,(H,16,22)
InChIKeyFXZXGBKCOWQXLX-UHFFFAOYSA-N
XLogP0.70
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[1-(4-fluorophenyl)propan-2-ylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 110017463
N-(2-hydroxyethyl)-2-[4-[1-(5-methylfuran-2-yl)ethylamino]pyrazol-1-yl]acetamide
CID 110017434
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-[1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 83117285
N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-propan-2-ylpyrazol-4-amine
CID 83119610
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-[4-(2-fluorophenyl)butan-2-ylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 110017479
N-(2-hydroxyethyl)-2-[4-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]pyrazol-1-yl]acetamide
CID 110017438
2-[4-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 110017108
3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol
CID 83117272

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-[4-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide (CID 110017430) is 2-[4-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-[4-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-[4-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide is CC(Nc1cnn(CC(=O)NCCO)c1)c1ccc(F)cn1.
What is the InChIKey of 2-[4-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide?
The InChIKey is FXZXGBKCOWQXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5O2/c1-10(13-3-2-11(15)6-17-13)19-12-7-18-20(8-12)9-14(22)16-4-5-21/h2-3,6-8,10,19,21H,4-5,9H2,1H3,(H,16,22).
What are the key properties of 2-[4-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide?
2-[4-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 307.33 g/mol, XLogP of 0.70, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 110017430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).