1-(3-chloro-4-methylphenyl)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-phenylpyrazol-5-amine

C27H27ClFN5 — CID 2420363

IUPAC1-(3-chloro-4-methylphenyl)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-phenylpyrazol-5-amine
SMILESCc1ccc(-n2nc(CN3CCN(c4ccccc4F)CC3)c(-c3ccccc3)c2N)cc1Cl
InChIInChI=1S/C27H27ClFN5/c1-19-11-12-21(17-22(19)28)34-27(30)26(20-7-3-2-4-8-20)24(31-34)18-32-13-15-33(16-14-32)25-10-6-5-9-23(25)29/h2-12,17H,13-16,18,30H2,1H3
InChIKeyNLLKFFRIJAFINE-UHFFFAOYSA-N
MW476.00 g/mol
LogP5.54
Rot. Bonds5

About 1-(3-chloro-4-methylphenyl)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-phenylpyrazol-5-amine

1-(3-chloro-4-methylphenyl)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-phenylpyrazol-5-amine (PubChem CID 2420363) has the molecular formula C27H27ClFN5 and a molecular weight of 476.00 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-phenylpyrazol-5-amine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-phenylpyrazol-5-amine
PubChem CID2420363
Molecular FormulaC27H27ClFN5
Molecular Weight476.00 g/mol
Exact Mass475.19
IUPAC Name1-(3-chloro-4-methylphenyl)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-phenylpyrazol-5-amine
SMILESCc1ccc(-n2nc(CN3CCN(c4ccccc4F)CC3)c(-c3ccccc3)c2N)cc1Cl
InChIInChI=1S/C27H27ClFN5/c1-19-11-12-21(17-22(19)28)34-27(30)26(20-7-3-2-4-8-20)24(31-34)18-32-13-15-33(16-14-32)25-10-6-5-9-23(25)29/h2-12,17H,13-16,18,30H2,1H3
InChIKeyNLLKFFRIJAFINE-UHFFFAOYSA-N
XLogP5.54
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.00
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-chloro-4-methylphenyl)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-phenylpyrazol-5-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-phenylpyrazol-5-amine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-phenylpyrazol-5-amine (CID 2420363) is 1-(3-chloro-4-methylphenyl)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-phenylpyrazol-5-amine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-phenylpyrazol-5-amine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-phenylpyrazol-5-amine is Cc1ccc(-n2nc(CN3CCN(c4ccccc4F)CC3)c(-c3ccccc3)c2N)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-phenylpyrazol-5-amine?
The InChIKey is NLLKFFRIJAFINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClFN5/c1-19-11-12-21(17-22(19)28)34-27(30)26(20-7-3-2-4-8-20)24(31-34)18-32-13-15-33(16-14-32)25-10-6-5-9-23(25)29/h2-12,17H,13-16,18,30H2,1H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-phenylpyrazol-5-amine?
1-(3-chloro-4-methylphenyl)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-phenylpyrazol-5-amine has a molecular weight of 476.00 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-phenylpyrazol-5-amine is sourced from PubChem (CID 2420363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).