1-(1-benzylpyrazol-4-yl)-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine

C21H19F2N5 — CID 42097896

IUPAC1-(1-benzylpyrazol-4-yl)-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine
SMILESFc1ccc(-c2[nH]ncc2CNCc2cnn(Cc3ccccc3)c2)c(F)c1
InChIInChI=1S/C21H19F2N5/c22-18-6-7-19(20(23)8-18)21-17(12-25-27-21)11-24-9-16-10-26-28(14-16)13-15-4-2-1-3-5-15/h1-8,10,12,14,24H,9,11,13H2,(H,25,27)
InChIKeyNFCYTXITNXJNHK-UHFFFAOYSA-N
MW379.41 g/mol
LogP3.89
Rot. Bonds7

About 1-(1-benzylpyrazol-4-yl)-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine

1-(1-benzylpyrazol-4-yl)-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine (PubChem CID 42097896) has the molecular formula C21H19F2N5 and a molecular weight of 379.41 g/mol. Its IUPAC name is 1-(1-benzylpyrazol-4-yl)-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(1-benzylpyrazol-4-yl)-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine
PubChem CID42097896
Molecular FormulaC21H19F2N5
Molecular Weight379.41 g/mol
Exact Mass379.16
IUPAC Name1-(1-benzylpyrazol-4-yl)-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine
SMILESFc1ccc(-c2[nH]ncc2CNCc2cnn(Cc3ccccc3)c2)c(F)c1
InChIInChI=1S/C21H19F2N5/c22-18-6-7-19(20(23)8-18)21-17(12-25-27-21)11-24-9-16-10-26-28(14-16)13-15-4-2-1-3-5-15/h1-8,10,12,14,24H,9,11,13H2,(H,25,27)
InChIKeyNFCYTXITNXJNHK-UHFFFAOYSA-N
XLogP3.89
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1-benzylpyrazol-4-yl)-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine 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-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 12106168
4-[3-(4-fluorophenyl)-5-(3-phenylpropyl)-1H-pyrazol-4-yl]pyridine
CID 24821653
4-(3-methylphenyl)-1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]triazole
CID 152058632
4-{1-methyl-4-[4-(4-methyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-3-yl}pyridine
CID 25093325
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-2-(1-methyl-1H-pyrazol-4-yl)ethanamine
CID 16190778
1-(4-fluorophenyl)-4-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 2812412
4-(3-(4-fluorophenyl)-5-(piperidin-3-yl)-1H-pyrazol-4-yl)pyridine
CID 22037206
4-(3-(4-fluorophenyl)-5-(piperidin-4-yl)-1H-pyrazol-4-yl)pyridine
CID 22037479
(1S,3R)-3-fluoro-N-((5-(5-fluoro-6-methylpyridin-3-yl)-4-methyl-1H-pyrazol-3-yl)methyl)cyclopentanamine
CID 45272626
4-(2-fluorophenyl)-1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]triazole
CID 141538430
1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]-4-[4-(trifluoromethyl)phenyl]triazole
CID 150482255
1-(4-fluorophenyl)-4-[(3-phenyl-1H-pyrazol-4-yl)methyl]piperazine
CID 2812426

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpyrazol-4-yl)-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine?
The IUPAC name of 1-(1-benzylpyrazol-4-yl)-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine (CID 42097896) is 1-(1-benzylpyrazol-4-yl)-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine.
What is the SMILES notation for 1-(1-benzylpyrazol-4-yl)-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine?
The canonical SMILES for 1-(1-benzylpyrazol-4-yl)-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine is Fc1ccc(-c2[nH]ncc2CNCc2cnn(Cc3ccccc3)c2)c(F)c1.
What is the InChIKey of 1-(1-benzylpyrazol-4-yl)-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine?
The InChIKey is NFCYTXITNXJNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N5/c22-18-6-7-19(20(23)8-18)21-17(12-25-27-21)11-24-9-16-10-26-28(14-16)13-15-4-2-1-3-5-15/h1-8,10,12,14,24H,9,11,13H2,(H,25,27).
What are the key properties of 1-(1-benzylpyrazol-4-yl)-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine?
1-(1-benzylpyrazol-4-yl)-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine has a molecular weight of 379.41 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpyrazol-4-yl)-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine is sourced from PubChem (CID 42097896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).