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

C18H18F2N4 — CID 70757308

IUPACN-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(3-methyl-4-pyridinyl)methanamine
SMILESCc1cnccc1CN(C)Cc1cn[nH]c1-c1ccc(F)cc1F
InChIInChI=1S/C18H18F2N4/c1-12-8-21-6-5-13(12)10-24(2)11-14-9-22-23-18(14)16-4-3-15(19)7-17(16)20/h3-9H,10-11H2,1-2H3,(H,22,23)
InChIKeyJGKILJSCHCDDPJ-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.69
Rot. Bonds5

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

N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(3-methyl-4-pyridinyl)methanamine (PubChem CID 70757308) has the molecular formula C18H18F2N4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(3-methyl-4-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(3-methyl-4-pyridinyl)methanamine
PubChem CID70757308
Molecular FormulaC18H18F2N4
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(3-methyl-4-pyridinyl)methanamine
SMILESCc1cnccc1CN(C)Cc1cn[nH]c1-c1ccc(F)cc1F
InChIInChI=1S/C18H18F2N4/c1-12-8-21-6-5-13(12)10-24(2)11-14-9-22-23-18(14)16-4-3-15(19)7-17(16)20/h3-9H,10-11H2,1-2H3,(H,22,23)
InChIKeyJGKILJSCHCDDPJ-UHFFFAOYSA-N
XLogP3.69
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(3-methyl-4-pyridinyl)methanamine?
The IUPAC name of N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(3-methyl-4-pyridinyl)methanamine (CID 70757308) is N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(3-methyl-4-pyridinyl)methanamine.
What is the SMILES notation for N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(3-methyl-4-pyridinyl)methanamine?
The canonical SMILES for N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(3-methyl-4-pyridinyl)methanamine is Cc1cnccc1CN(C)Cc1cn[nH]c1-c1ccc(F)cc1F.
What is the InChIKey of N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(3-methyl-4-pyridinyl)methanamine?
The InChIKey is JGKILJSCHCDDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4/c1-12-8-21-6-5-13(12)10-24(2)11-14-9-22-23-18(14)16-4-3-15(19)7-17(16)20/h3-9H,10-11H2,1-2H3,(H,22,23).
What are the key properties of N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(3-methyl-4-pyridinyl)methanamine?
N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(3-methyl-4-pyridinyl)methanamine has a molecular weight of 328.37 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(3-methyl-4-pyridinyl)methanamine is sourced from PubChem (CID 70757308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).