(5-amino-1,3-dihydropyrazol-2-yl)-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methanone

C16H22FN5O — CID 154775981

IUPAC(5-amino-1,3-dihydropyrazol-2-yl)-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methanone
SMILESCCN1CCN(c2ccc(C(=O)N3CC=C(N)N3)cc2F)CC1
InChIInChI=1S/C16H22FN5O/c1-2-20-7-9-21(10-8-20)14-4-3-12(11-13(14)17)16(23)22-6-5-15(18)19-22/h3-5,11,19H,2,6-10,18H2,1H3
InChIKeyITWXXNGWVKCRPC-UHFFFAOYSA-N
MW319.38 g/mol
LogP0.73
Rot. Bonds3

About (5-amino-1,3-dihydropyrazol-2-yl)-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methanone

(5-amino-1,3-dihydropyrazol-2-yl)-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methanone (PubChem CID 154775981) has the molecular formula C16H22FN5O and a molecular weight of 319.38 g/mol. Its IUPAC name is (5-amino-1,3-dihydropyrazol-2-yl)-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methanone.

Molecular Properties

Compound Name(5-amino-1,3-dihydropyrazol-2-yl)-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methanone
PubChem CID154775981
Molecular FormulaC16H22FN5O
Molecular Weight319.38 g/mol
Exact Mass319.18
IUPAC Name(5-amino-1,3-dihydropyrazol-2-yl)-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methanone
SMILESCCN1CCN(c2ccc(C(=O)N3CC=C(N)N3)cc2F)CC1
InChIInChI=1S/C16H22FN5O/c1-2-20-7-9-21(10-8-20)14-4-3-12(11-13(14)17)16(23)22-6-5-15(18)19-22/h3-5,11,19H,2,6-10,18H2,1H3
InChIKeyITWXXNGWVKCRPC-UHFFFAOYSA-N
XLogP0.73
TPSA64.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (5-amino-1,3-dihydropyrazol-2-yl)-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methanone 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

4-(4-ethylpiperazin-1-yl)-3-fluorobenzoic acid
CID 28604489
3,9-diazabicyclo[4.2.1]nonan-3-yl-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methanone
CID 119637053
N-(3-amino-4-methoxyphenyl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide
CID 119419669
(3-amino-4-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 39354170
[4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methanone;dihydrochloride
CID 119623424
2-[2-(dimethylamino)ethyl-[4-(4-ethylpiperazin-1-yl)-3-fluorobenzoyl]amino]acetic acid
CID 126789713
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide
CID 119574006
4-(4-ethylpiperazin-1-yl)-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide;dihydrochloride
CID 119442759
2-[[(2S)-butan-2-yl]-[4-(4-ethylpiperazin-1-yl)-3-fluorobenzoyl]amino]acetic acid
CID 129414757
3-amino-N-ethyl-4-(4-ethylpiperazin-1-yl)benzamide
CID 83000329
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide
CID 119598813
4-(4-ethylpiperazin-1-yl)-3-fluoro-N-piperidin-3-ylbenzamide;dihydrochloride
CID 119426574

Frequently Asked Questions

What is the IUPAC name of (5-amino-1,3-dihydropyrazol-2-yl)-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methanone?
The IUPAC name of (5-amino-1,3-dihydropyrazol-2-yl)-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methanone (CID 154775981) is (5-amino-1,3-dihydropyrazol-2-yl)-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methanone.
What is the SMILES notation for (5-amino-1,3-dihydropyrazol-2-yl)-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methanone?
The canonical SMILES for (5-amino-1,3-dihydropyrazol-2-yl)-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methanone is CCN1CCN(c2ccc(C(=O)N3CC=C(N)N3)cc2F)CC1.
What is the InChIKey of (5-amino-1,3-dihydropyrazol-2-yl)-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methanone?
The InChIKey is ITWXXNGWVKCRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN5O/c1-2-20-7-9-21(10-8-20)14-4-3-12(11-13(14)17)16(23)22-6-5-15(18)19-22/h3-5,11,19H,2,6-10,18H2,1H3.
What are the key properties of (5-amino-1,3-dihydropyrazol-2-yl)-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methanone?
(5-amino-1,3-dihydropyrazol-2-yl)-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methanone has a molecular weight of 319.38 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1,3-dihydropyrazol-2-yl)-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methanone is sourced from PubChem (CID 154775981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).