4-[[5-amino-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-(4-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]pyrazol-5-amine

C27H23F3N6 — CID 15129849

IUPAC4-[[5-amino-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-(4-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]pyrazol-5-amine
SMILESNc1c(C(c2ccc(F)cc2)c2cnn(Cc3ccc(F)cc3)c2N)cnn1Cc1ccc(F)cc1
InChIInChI=1S/C27H23F3N6/c28-20-7-1-17(2-8-20)15-35-26(31)23(13-33-35)25(19-5-11-22(30)12-6-19)24-14-34-36(27(24)32)16-18-3-9-21(29)10-4-18/h1-14,25H,15-16,31-32H2
InChIKeyPOOLYISKMPDWSC-UHFFFAOYSA-N
MW488.52 g/mol
LogP4.94
Rot. Bonds7

About 4-[[5-amino-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-(4-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]pyrazol-5-amine

4-[[5-amino-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-(4-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]pyrazol-5-amine (PubChem CID 15129849) has the molecular formula C27H23F3N6 and a molecular weight of 488.52 g/mol. Its IUPAC name is 4-[[5-amino-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-(4-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]pyrazol-5-amine.

Molecular Properties

Compound Name4-[[5-amino-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-(4-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]pyrazol-5-amine
PubChem CID15129849
Molecular FormulaC27H23F3N6
Molecular Weight488.52 g/mol
Exact Mass488.19
IUPAC Name4-[[5-amino-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-(4-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]pyrazol-5-amine
SMILESNc1c(C(c2ccc(F)cc2)c2cnn(Cc3ccc(F)cc3)c2N)cnn1Cc1ccc(F)cc1
InChIInChI=1S/C27H23F3N6/c28-20-7-1-17(2-8-20)15-35-26(31)23(13-33-35)25(19-5-11-22(30)12-6-19)24-14-34-36(27(24)32)16-18-3-9-21(29)10-4-18/h1-14,25H,15-16,31-32H2
InChIKeyPOOLYISKMPDWSC-UHFFFAOYSA-N
XLogP4.94
TPSA87.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.52
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[5-amino-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-(4-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]pyrazol-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

Related Compounds

[5-amino-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methanol
CID 115069654
1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-amine
CID 66439624
1-benzyl-4-propan-2-ylpyrazol-5-amine
CID 126480379
1-[[4-(difluoromethyl)phenyl]methyl]-4-nitropyrazol-5-amine
CID 115524195
5-chloro-1-[(4-fluorophenyl)methyl]pyrazol-4-ol
CID 117232697
1-[(4-fluorophenyl)methyl]-5-methylpyrazole
CID 63278751
1-[(4-fluorophenyl)methyl]-5,7-dimethylindazol-4-amine
CID 123309959
5-ethyl-1-[(4-fluorophenyl)methyl]triazol-4-amine
CID 79542224
5-bromo-1-[(4-fluorophenyl)methyl]-4-methoxypyrazole
CID 117232705
4-chloro-1-[[3-(difluoromethyl)phenyl]methyl]pyrazol-5-amine
CID 113328791
1-[1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine
CID 66442394
4-[(4-aminophenyl)-(4-fluorophenyl)methyl]aniline
CID 11289344

Frequently Asked Questions

What is the IUPAC name of 4-[[5-amino-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-(4-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]pyrazol-5-amine?
The IUPAC name of 4-[[5-amino-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-(4-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]pyrazol-5-amine (CID 15129849) is 4-[[5-amino-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-(4-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]pyrazol-5-amine.
What is the SMILES notation for 4-[[5-amino-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-(4-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]pyrazol-5-amine?
The canonical SMILES for 4-[[5-amino-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-(4-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]pyrazol-5-amine is Nc1c(C(c2ccc(F)cc2)c2cnn(Cc3ccc(F)cc3)c2N)cnn1Cc1ccc(F)cc1.
What is the InChIKey of 4-[[5-amino-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-(4-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]pyrazol-5-amine?
The InChIKey is POOLYISKMPDWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F3N6/c28-20-7-1-17(2-8-20)15-35-26(31)23(13-33-35)25(19-5-11-22(30)12-6-19)24-14-34-36(27(24)32)16-18-3-9-21(29)10-4-18/h1-14,25H,15-16,31-32H2.
What are the key properties of 4-[[5-amino-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-(4-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]pyrazol-5-amine?
4-[[5-amino-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-(4-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]pyrazol-5-amine has a molecular weight of 488.52 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-amino-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-(4-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]pyrazol-5-amine is sourced from PubChem (CID 15129849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).