2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]pyridine-3-carboxylic acid

C18H17FN4O2 — CID 50963732

IUPAC2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]pyridine-3-carboxylic acid
SMILESCN(Cc1cn[nH]c1-c1ccc(F)cc1)Cc1ncccc1C(=O)O
InChIInChI=1S/C18H17FN4O2/c1-23(11-16-15(18(24)25)3-2-8-20-16)10-13-9-21-22-17(13)12-4-6-14(19)7-5-12/h2-9H,10-11H2,1H3,(H,21,22)(H,24,25)
InChIKeyQHISPLONUWIIAR-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.94
Rot. Bonds6

About 2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]pyridine-3-carboxylic acid

2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]pyridine-3-carboxylic acid (PubChem CID 50963732) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]pyridine-3-carboxylic acid
PubChem CID50963732
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]pyridine-3-carboxylic acid
SMILESCN(Cc1cn[nH]c1-c1ccc(F)cc1)Cc1ncccc1C(=O)O
InChIInChI=1S/C18H17FN4O2/c1-23(11-16-15(18(24)25)3-2-8-20-16)10-13-9-21-22-17(13)12-4-6-14(19)7-5-12/h2-9H,10-11H2,1H3,(H,21,22)(H,24,25)
InChIKeyQHISPLONUWIIAR-UHFFFAOYSA-N
XLogP2.94
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-3-(pyridin-3-yl)-1H-pyrazole-4-carboxylic acid
CID 752171
1-benzyl-3-(pyridin-3-yl)-1H-pyrazole-4-carboxylic acid
CID 2497643
4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)benzoic acid
CID 45487437
3-(1H-pyrazol-5-ylmethylamino)pyridine-4-carboxylic acid
CID 127030808
2-(1-Methylpyrazol-3-yl)pyridine-4-carboxylic acid
CID 105455028
1-[3-[4-(Dimethylcarbamoyl)-2-pyridinyl]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 168278004
5-(4-Methyl-3,5-diphenylpyrazol-1-yl)pyridine-3-carboxylic acid
CID 68329464
3-(pyridin-3-yl)-1H-pyrazole-4-carboxylic acid
CID 28948768
3-(pyridin-2-yl)-1H-pyrazole-4-carboxylic acid
CID 28948772
1-methyl-3-(pyridin-2-yl)-1H-pyrazole-4-carboxylic acid
CID 39095960
6-(1H-pyrazol-4-yl)pyridine-3-carboxylic acid
CID 3483191
2-{[2-(2-Phenylethyl)pyrrolidin-1-yl]methyl}nicotinic acid
CID 50976180

Frequently Asked Questions

What is the IUPAC name of 2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]pyridine-3-carboxylic acid (CID 50963732) is 2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]pyridine-3-carboxylic acid is CN(Cc1cn[nH]c1-c1ccc(F)cc1)Cc1ncccc1C(=O)O.
What is the InChIKey of 2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]pyridine-3-carboxylic acid?
The InChIKey is QHISPLONUWIIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-23(11-16-15(18(24)25)3-2-8-20-16)10-13-9-21-22-17(13)12-4-6-14(19)7-5-12/h2-9H,10-11H2,1H3,(H,21,22)(H,24,25).
What are the key properties of 2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]pyridine-3-carboxylic acid?
2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]pyridine-3-carboxylic acid has a molecular weight of 340.36 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 50963732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).