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

C18H19FN4 — CID 77097342

IUPACN-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
SMILESCc1cc(CN(C)Cc2cn[nH]c2-c2cccc(F)c2)ccn1
InChIInChI=1S/C18H19FN4/c1-13-8-14(6-7-20-13)11-23(2)12-16-10-21-22-18(16)15-4-3-5-17(19)9-15/h3-10H,11-12H2,1-2H3,(H,21,22)
InChIKeyXIQAPYXTKJJCNF-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.55
Rot. Bonds5

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

N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(2-methyl-4-pyridinyl)methanamine (PubChem CID 77097342) has the molecular formula C18H19FN4 and a molecular weight of 310.38 g/mol. Its IUPAC name is N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(2-methyl-4-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
PubChem CID77097342
Molecular FormulaC18H19FN4
Molecular Weight310.38 g/mol
Exact Mass310.16
IUPAC NameN-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
SMILESCc1cc(CN(C)Cc2cn[nH]c2-c2cccc(F)c2)ccn1
InChIInChI=1S/C18H19FN4/c1-13-8-14(6-7-20-13)11-23(2)12-16-10-21-22-18(16)15-4-3-5-17(19)9-15/h3-10H,11-12H2,1-2H3,(H,21,22)
InChIKeyXIQAPYXTKJJCNF-UHFFFAOYSA-N
XLogP3.55
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-5-(3-fluorophenyl)-1H-pyrazole
CID 143699505
3-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]phenol
CID 46998465
N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 23005780
1-(2-ethylpyrimidin-5-yl)-N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 77098082
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylmethanamine
CID 166211654
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine
CID 46993702
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methanamine
CID 42196661
2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]pyridine-3-carboxylic acid
CID 50963732
[3-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]-2,4,6-trimethylphenyl]methanol
CID 46997901
N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 70757308
N'-[[5-(3-aminophenyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 86304952
5-(3-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)-1H-pyrazole-4-carboxamide
CID 56905197

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(2-methyl-4-pyridinyl)methanamine?
The IUPAC name of N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(2-methyl-4-pyridinyl)methanamine (CID 77097342) is N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(2-methyl-4-pyridinyl)methanamine.
What is the SMILES notation for N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(2-methyl-4-pyridinyl)methanamine?
The canonical SMILES for N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(2-methyl-4-pyridinyl)methanamine is Cc1cc(CN(C)Cc2cn[nH]c2-c2cccc(F)c2)ccn1.
What is the InChIKey of N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(2-methyl-4-pyridinyl)methanamine?
The InChIKey is XIQAPYXTKJJCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4/c1-13-8-14(6-7-20-13)11-23(2)12-16-10-21-22-18(16)15-4-3-5-17(19)9-15/h3-10H,11-12H2,1-2H3,(H,21,22).
What are the key properties of N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(2-methyl-4-pyridinyl)methanamine?
N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(2-methyl-4-pyridinyl)methanamine has a molecular weight of 310.38 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(2-methyl-4-pyridinyl)methanamine is sourced from PubChem (CID 77097342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).