N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine

C19H17FN6 — CID 47030685

IUPACN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine
SMILESFc1ccc(-c2[nH]ncc2CNCc2cccnc2-n2cccn2)cc1
InChIInChI=1S/C19H17FN6/c20-17-6-4-14(5-7-17)18-16(13-23-25-18)12-21-11-15-3-1-8-22-19(15)26-10-2-9-24-26/h1-10,13,21H,11-12H2,(H,23,25)
InChIKeyALEUKQPQHLSHRZ-UHFFFAOYSA-N
MW348.39 g/mol
LogP3.09
Rot. Bonds6

About N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine

N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine (PubChem CID 47030685) has the molecular formula C19H17FN6 and a molecular weight of 348.39 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine
PubChem CID47030685
Molecular FormulaC19H17FN6
Molecular Weight348.39 g/mol
Exact Mass348.15
IUPAC NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine
SMILESFc1ccc(-c2[nH]ncc2CNCc2cccnc2-n2cccn2)cc1
InChIInChI=1S/C19H17FN6/c20-17-6-4-14(5-7-17)18-16(13-23-25-18)12-21-11-15-3-1-8-22-19(15)26-10-2-9-24-26/h1-10,13,21H,11-12H2,(H,23,25)
InChIKeyALEUKQPQHLSHRZ-UHFFFAOYSA-N
XLogP3.09
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine 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 N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine?
The IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine (CID 47030685) is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine.
What is the SMILES notation for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine?
The canonical SMILES for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine is Fc1ccc(-c2[nH]ncc2CNCc2cccnc2-n2cccn2)cc1.
What is the InChIKey of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine?
The InChIKey is ALEUKQPQHLSHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6/c20-17-6-4-14(5-7-17)18-16(13-23-25-18)12-21-11-15-3-1-8-22-19(15)26-10-2-9-24-26/h1-10,13,21H,11-12H2,(H,23,25).
What are the key properties of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine?
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine has a molecular weight of 348.39 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine is sourced from PubChem (CID 47030685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).