2-[4-[(5-chloro-2-fluorophenyl)methylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide

C14H16ClFN4O2 — CID 110017147

IUPAC2-[4-[(5-chloro-2-fluorophenyl)methylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
SMILESO=C(Cn1cc(NCc2cc(Cl)ccc2F)cn1)NCCO
InChIInChI=1S/C14H16ClFN4O2/c15-11-1-2-13(16)10(5-11)6-18-12-7-19-20(8-12)9-14(22)17-3-4-21/h1-2,5,7-8,18,21H,3-4,6,9H2,(H,17,22)
InChIKeyNNXBGWNTIPWLSK-UHFFFAOYSA-N
MW326.76 g/mol
LogP1.40
Rot. Bonds7

About 2-[4-[(5-chloro-2-fluorophenyl)methylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide

2-[4-[(5-chloro-2-fluorophenyl)methylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide (PubChem CID 110017147) has the molecular formula C14H16ClFN4O2 and a molecular weight of 326.76 g/mol. Its IUPAC name is 2-[4-[(5-chloro-2-fluorophenyl)methylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(5-chloro-2-fluorophenyl)methylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
PubChem CID110017147
Molecular FormulaC14H16ClFN4O2
Molecular Weight326.76 g/mol
Exact Mass326.09
IUPAC Name2-[4-[(5-chloro-2-fluorophenyl)methylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
SMILESO=C(Cn1cc(NCc2cc(Cl)ccc2F)cn1)NCCO
InChIInChI=1S/C14H16ClFN4O2/c15-11-1-2-13(16)10(5-11)6-18-12-7-19-20(8-12)9-14(22)17-3-4-21/h1-2,5,7-8,18,21H,3-4,6,9H2,(H,17,22)
InChIKeyNNXBGWNTIPWLSK-UHFFFAOYSA-N
XLogP1.40
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.76
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(5-chloro-2-fluorophenyl)methylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-chloro-2-fluorophenyl)-N-(2-hydroxyethyl)acetamide
CID 82475017
2-[4-[(2,4-dichlorophenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 60931328
2-[4-[(2,4-dichlorophenyl)methylamino]pyrazol-1-yl]acetamide
CID 43695144
2-[4-[(2,4-difluorophenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 60931443
2-[4-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 110017108
2-[4-[(4-cyanothiophen-2-yl)methylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 110017138
2-[4-[4-(2-fluorophenyl)butan-2-ylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 110017479
2-[4-[(3,5-dichlorophenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 60932423
2-[4-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 110017465
2-[4-[(3-fluoro-2-hydroxyphenyl)methylamino]pyrazol-1-yl]acetamide
CID 112606480
2-[4-(3,3-dimethylbutan-2-ylamino)pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 110017445
2-[4-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 110017430

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chloro-2-fluorophenyl)methylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-[4-[(5-chloro-2-fluorophenyl)methylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide (CID 110017147) is 2-[4-[(5-chloro-2-fluorophenyl)methylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-[4-[(5-chloro-2-fluorophenyl)methylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-[4-[(5-chloro-2-fluorophenyl)methylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide is O=C(Cn1cc(NCc2cc(Cl)ccc2F)cn1)NCCO.
What is the InChIKey of 2-[4-[(5-chloro-2-fluorophenyl)methylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide?
The InChIKey is NNXBGWNTIPWLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN4O2/c15-11-1-2-13(16)10(5-11)6-18-12-7-19-20(8-12)9-14(22)17-3-4-21/h1-2,5,7-8,18,21H,3-4,6,9H2,(H,17,22).
What are the key properties of 2-[4-[(5-chloro-2-fluorophenyl)methylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide?
2-[4-[(5-chloro-2-fluorophenyl)methylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 326.76 g/mol, XLogP of 1.40, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-chloro-2-fluorophenyl)methylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 110017147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).