N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-methoxyethyl)pyrazol-4-amine

C16H18FN5O — CID 71914488

IUPACN-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-methoxyethyl)pyrazol-4-amine
SMILESCOCCn1cc(NCc2cn[nH]c2-c2ccccc2F)cn1
InChIInChI=1S/C16H18FN5O/c1-23-7-6-22-11-13(10-20-22)18-8-12-9-19-21-16(12)14-4-2-3-5-15(14)17/h2-5,9-11,18H,6-8H2,1H3,(H,19,21)
InChIKeyBQEZTSQHCQYMGQ-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.67
Rot. Bonds7

About N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-methoxyethyl)pyrazol-4-amine

N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-methoxyethyl)pyrazol-4-amine (PubChem CID 71914488) has the molecular formula C16H18FN5O and a molecular weight of 315.35 g/mol. Its IUPAC name is N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-methoxyethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-methoxyethyl)pyrazol-4-amine
PubChem CID71914488
Molecular FormulaC16H18FN5O
Molecular Weight315.35 g/mol
Exact Mass315.15
IUPAC NameN-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-methoxyethyl)pyrazol-4-amine
SMILESCOCCn1cc(NCc2cn[nH]c2-c2ccccc2F)cn1
InChIInChI=1S/C16H18FN5O/c1-23-7-6-22-11-13(10-20-22)18-8-12-9-19-21-16(12)14-4-2-3-5-15(14)17/h2-5,9-11,18H,6-8H2,1H3,(H,19,21)
InChIKeyBQEZTSQHCQYMGQ-UHFFFAOYSA-N
XLogP2.67
TPSA67.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-methoxyethyl)pyrazol-4-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 N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-methoxyethyl)pyrazol-4-amine?
The IUPAC name of N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-methoxyethyl)pyrazol-4-amine (CID 71914488) is N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-methoxyethyl)pyrazol-4-amine.
What is the SMILES notation for N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-methoxyethyl)pyrazol-4-amine?
The canonical SMILES for N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-methoxyethyl)pyrazol-4-amine is COCCn1cc(NCc2cn[nH]c2-c2ccccc2F)cn1.
What is the InChIKey of N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-methoxyethyl)pyrazol-4-amine?
The InChIKey is BQEZTSQHCQYMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O/c1-23-7-6-22-11-13(10-20-22)18-8-12-9-19-21-16(12)14-4-2-3-5-15(14)17/h2-5,9-11,18H,6-8H2,1H3,(H,19,21).
What are the key properties of N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-methoxyethyl)pyrazol-4-amine?
N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-methoxyethyl)pyrazol-4-amine has a molecular weight of 315.35 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-methoxyethyl)pyrazol-4-amine is sourced from PubChem (CID 71914488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).