2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[2-(pyridin-2-ylamino)ethyl]acetamide

C18H18FN5O — CID 71991492

IUPAC2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[2-(pyridin-2-ylamino)ethyl]acetamide
SMILESO=C(Cc1ccn(-c2ccc(F)cc2)n1)NCCNc1ccccn1
InChIInChI=1S/C18H18FN5O/c19-14-4-6-16(7-5-14)24-12-8-15(23-24)13-18(25)22-11-10-21-17-3-1-2-9-20-17/h1-9,12H,10-11,13H2,(H,20,21)(H,22,25)
InChIKeyFOLAZROLLVDGKO-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.18
Rot. Bonds7

About 2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[2-(pyridin-2-ylamino)ethyl]acetamide

2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[2-(pyridin-2-ylamino)ethyl]acetamide (PubChem CID 71991492) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[2-(pyridin-2-ylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[2-(pyridin-2-ylamino)ethyl]acetamide
PubChem CID71991492
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[2-(pyridin-2-ylamino)ethyl]acetamide
SMILESO=C(Cc1ccn(-c2ccc(F)cc2)n1)NCCNc1ccccn1
InChIInChI=1S/C18H18FN5O/c19-14-4-6-16(7-5-14)24-12-8-15(23-24)13-18(25)22-11-10-21-17-3-1-2-9-20-17/h1-9,12H,10-11,13H2,(H,20,21)(H,22,25)
InChIKeyFOLAZROLLVDGKO-UHFFFAOYSA-N
XLogP2.18
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-difluorophenyl)-6-(1H-pyrazol-1-yl)nicotinamide
CID 3567091
Phenyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10499712
4-[4-[[5-chloro-4-(4-fluoroanilino)pyrimidin-2-yl]amino]pyrazol-1-yl]-N-hydroxybutanamide
CID 141728843
7-[4-[[5-fluoro-4-(4-fluoroanilino)pyrimidin-2-yl]amino]pyrazol-1-yl]-N-hydroxyheptanamide
CID 141728855
5-[4-[[5-chloro-4-(4-fluoroanilino)pyrimidin-2-yl]amino]pyrazol-1-yl]-N-hydroxypentanamide
CID 141728867
6-[4-[[5-chloro-4-(4-fluoroanilino)pyrimidin-2-yl]amino]pyrazol-1-yl]-N-hydroxyhexanamide
CID 141728873
7-[4-[[4-(4-fluoroanilino)pyrimidin-2-yl]amino]pyrazol-1-yl]-N-hydroxyheptanamide
CID 141728877
1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 3245934
1-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 3410204
1-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 4607002
Cyclohexyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10547894
N-methyl-N-[4-[(6-pyrazol-1-yl-2-pyridinyl)methylamino]butyl]benzamide
CID 10570712

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[2-(pyridin-2-ylamino)ethyl]acetamide?
The IUPAC name of 2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[2-(pyridin-2-ylamino)ethyl]acetamide (CID 71991492) is 2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[2-(pyridin-2-ylamino)ethyl]acetamide.
What is the SMILES notation for 2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[2-(pyridin-2-ylamino)ethyl]acetamide?
The canonical SMILES for 2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[2-(pyridin-2-ylamino)ethyl]acetamide is O=C(Cc1ccn(-c2ccc(F)cc2)n1)NCCNc1ccccn1.
What is the InChIKey of 2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[2-(pyridin-2-ylamino)ethyl]acetamide?
The InChIKey is FOLAZROLLVDGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c19-14-4-6-16(7-5-14)24-12-8-15(23-24)13-18(25)22-11-10-21-17-3-1-2-9-20-17/h1-9,12H,10-11,13H2,(H,20,21)(H,22,25).
What are the key properties of 2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[2-(pyridin-2-ylamino)ethyl]acetamide?
2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[2-(pyridin-2-ylamino)ethyl]acetamide has a molecular weight of 339.37 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[2-(pyridin-2-ylamino)ethyl]acetamide is sourced from PubChem (CID 71991492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).