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

C17H19F2N5 — CID 42289115

IUPACN-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-ethyl-2-pyrazol-1-ylethanamine
SMILESCCN(CCn1cccn1)Cc1cn[nH]c1-c1ccc(F)cc1F
InChIInChI=1S/C17H19F2N5/c1-2-23(8-9-24-7-3-6-21-24)12-13-11-20-22-17(13)15-5-4-14(18)10-16(15)19/h3-7,10-11H,2,8-9,12H2,1H3,(H,20,22)
InChIKeyPEOKDQOEBSPPNA-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.07
Rot. Bonds7

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

N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-ethyl-2-pyrazol-1-ylethanamine (PubChem CID 42289115) has the molecular formula C17H19F2N5 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-ethyl-2-pyrazol-1-ylethanamine.

Molecular Properties

Compound NameN-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-ethyl-2-pyrazol-1-ylethanamine
PubChem CID42289115
Molecular FormulaC17H19F2N5
Molecular Weight331.37 g/mol
Exact Mass331.16
IUPAC NameN-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-ethyl-2-pyrazol-1-ylethanamine
SMILESCCN(CCn1cccn1)Cc1cn[nH]c1-c1ccc(F)cc1F
InChIInChI=1S/C17H19F2N5/c1-2-23(8-9-24-7-3-6-21-24)12-13-11-20-22-17(13)15-5-4-14(18)10-16(15)19/h3-7,10-11H,2,8-9,12H2,1H3,(H,20,22)
InChIKeyPEOKDQOEBSPPNA-UHFFFAOYSA-N
XLogP3.07
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-ethyl-2-pyrazol-1-ylethanamine 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-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-ethyl-2-pyrazol-1-ylethanamine?
The IUPAC name of N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-ethyl-2-pyrazol-1-ylethanamine (CID 42289115) is N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-ethyl-2-pyrazol-1-ylethanamine.
What is the SMILES notation for N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-ethyl-2-pyrazol-1-ylethanamine?
The canonical SMILES for N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-ethyl-2-pyrazol-1-ylethanamine is CCN(CCn1cccn1)Cc1cn[nH]c1-c1ccc(F)cc1F.
What is the InChIKey of N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-ethyl-2-pyrazol-1-ylethanamine?
The InChIKey is PEOKDQOEBSPPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N5/c1-2-23(8-9-24-7-3-6-21-24)12-13-11-20-22-17(13)15-5-4-14(18)10-16(15)19/h3-7,10-11H,2,8-9,12H2,1H3,(H,20,22).
What are the key properties of N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-ethyl-2-pyrazol-1-ylethanamine?
N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-ethyl-2-pyrazol-1-ylethanamine has a molecular weight of 331.37 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-ethyl-2-pyrazol-1-ylethanamine is sourced from PubChem (CID 42289115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).