2-[4-[1-(2-chlorophenyl)ethylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide

C15H19ClN4O2 — CID 110017432

IUPAC2-[4-[1-(2-chlorophenyl)ethylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
SMILESCC(Nc1cnn(CC(=O)NCCO)c1)c1ccccc1Cl
InChIInChI=1S/C15H19ClN4O2/c1-11(13-4-2-3-5-14(13)16)19-12-8-18-20(9-12)10-15(22)17-6-7-21/h2-5,8-9,11,19,21H,6-7,10H2,1H3,(H,17,22)
InChIKeyHYGMBOHZNRYQHF-UHFFFAOYSA-N
MW322.80 g/mol
LogP1.82
Rot. Bonds7

About 2-[4-[1-(2-chlorophenyl)ethylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide

2-[4-[1-(2-chlorophenyl)ethylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide (PubChem CID 110017432) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is 2-[4-[1-(2-chlorophenyl)ethylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-[1-(2-chlorophenyl)ethylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
PubChem CID110017432
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC Name2-[4-[1-(2-chlorophenyl)ethylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
SMILESCC(Nc1cnn(CC(=O)NCCO)c1)c1ccccc1Cl
InChIInChI=1S/C15H19ClN4O2/c1-11(13-4-2-3-5-14(13)16)19-12-8-18-20(9-12)10-15(22)17-6-7-21/h2-5,8-9,11,19,21H,6-7,10H2,1H3,(H,17,22)
InChIKeyHYGMBOHZNRYQHF-UHFFFAOYSA-N
XLogP1.82
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-2-[4-(1-naphthalen-2-ylethylamino)pyrazol-1-yl]acetamide
CID 110017473
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-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 110017430
N-(2-hydroxyethyl)-2-[4-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]pyrazol-1-yl]acetamide
CID 110017438
N-(2-hydroxyethyl)-2-[4-(3-methylpentan-2-ylamino)pyrazol-1-yl]acetamide
CID 110017451
2-[4-[4-(2-fluorophenyl)butan-2-ylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 110017479
2-[4-[1-(4-fluorophenyl)propan-2-ylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 110017463
2-[4-[[4-[(2,6-dichlorophenyl)methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 131970050
2-[4-[[1-(2-chlorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 64829552
2-[4-[(5-chloro-2-fluorophenyl)methylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 110017147
N-methyl-2-[4-(1-pyridin-4-ylethylamino)pyrazol-1-yl]acetamide
CID 54866547

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2-chlorophenyl)ethylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-[4-[1-(2-chlorophenyl)ethylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide (CID 110017432) is 2-[4-[1-(2-chlorophenyl)ethylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-[4-[1-(2-chlorophenyl)ethylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-[4-[1-(2-chlorophenyl)ethylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide is CC(Nc1cnn(CC(=O)NCCO)c1)c1ccccc1Cl.
What is the InChIKey of 2-[4-[1-(2-chlorophenyl)ethylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide?
The InChIKey is HYGMBOHZNRYQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2/c1-11(13-4-2-3-5-14(13)16)19-12-8-18-20(9-12)10-15(22)17-6-7-21/h2-5,8-9,11,19,21H,6-7,10H2,1H3,(H,17,22).
What are the key properties of 2-[4-[1-(2-chlorophenyl)ethylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide?
2-[4-[1-(2-chlorophenyl)ethylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 322.80 g/mol, XLogP of 1.82, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2-chlorophenyl)ethylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 110017432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).