N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine

C18H19FN4O — CID 46993702

IUPACN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine
SMILESCOc1ccc(CN(C)Cc2cn[nH]c2-c2ccc(F)cc2)cn1
InChIInChI=1S/C18H19FN4O/c1-23(11-13-3-8-17(24-2)20-9-13)12-15-10-21-22-18(15)14-4-6-16(19)7-5-14/h3-10H,11-12H2,1-2H3,(H,21,22)
InChIKeyTXJSZQIAVDXBTR-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.25
Rot. Bonds6

About N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine

N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine (PubChem CID 46993702) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine
PubChem CID46993702
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine
SMILESCOc1ccc(CN(C)Cc2cn[nH]c2-c2ccc(F)cc2)cn1
InChIInChI=1S/C18H19FN4O/c1-23(11-13-3-8-17(24-2)20-9-13)12-15-10-21-22-18(15)14-4-6-16(19)7-5-14/h3-10H,11-12H2,1-2H3,(H,21,22)
InChIKeyTXJSZQIAVDXBTR-UHFFFAOYSA-N
XLogP3.25
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine?
The IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine (CID 46993702) is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine?
The canonical SMILES for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine is COc1ccc(CN(C)Cc2cn[nH]c2-c2ccc(F)cc2)cn1.
What is the InChIKey of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine?
The InChIKey is TXJSZQIAVDXBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c1-23(11-13-3-8-17(24-2)20-9-13)12-15-10-21-22-18(15)14-4-6-16(19)7-5-14/h3-10H,11-12H2,1-2H3,(H,21,22).
What are the key properties of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine?
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine has a molecular weight of 326.38 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 46993702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).