3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid

C16H20N4O2 — CID 147690365

IUPAC3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid
SMILESCc1c(Cc2cnccc2C(=O)O)cnn1C1CCNCC1
InChIInChI=1S/C16H20N4O2/c1-11-12(8-13-9-18-7-4-15(13)16(21)22)10-19-20(11)14-2-5-17-6-3-14/h4,7,9-10,14,17H,2-3,5-6,8H2,1H3,(H,21,22)
InChIKeyGQVZEYNKSKTCNB-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.80
Rot. Bonds4

About 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid

3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid (PubChem CID 147690365) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid
PubChem CID147690365
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid
SMILESCc1c(Cc2cnccc2C(=O)O)cnn1C1CCNCC1
InChIInChI=1S/C16H20N4O2/c1-11-12(8-13-9-18-7-4-15(13)16(21)22)10-19-20(11)14-2-5-17-6-3-14/h4,7,9-10,14,17H,2-3,5-6,8H2,1H3,(H,21,22)
InChIKeyGQVZEYNKSKTCNB-UHFFFAOYSA-N
XLogP1.80
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,5-dimethyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid
CID 3164943
1-(2-Aminoethyl)-3-[2-(Quinolin-3-Yl)pyridin-4-Yl]-1h-Pyrazole-5-Carboxylic Acid
CID 9826115
2-(1-ethyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid
CID 6485380
1-benzyl-3-(pyridin-3-yl)-1H-pyrazole-4-carboxylic acid
CID 2497643
Methyl 4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)benzoate
CID 11508699
4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)benzoic acid
CID 45487437
6-[(2-Phenyl-6-vinylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151150
6-[(6-Methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151153
4-[2-[7-(4-Pyridin-3-yltriazol-1-yl)heptylcarbamoyl]phenyl]benzoic acid
CID 86305819
2-[2-[7-(4-Pyridin-3-yltriazol-1-yl)heptylcarbamoyl]phenyl]benzoic acid
CID 86305917
6-[[2-Phenyl-6-(propen-2-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 86704838
8-(4-(1-Methyl-1H-pyrazol-4-yl)phenyl)-1,6-naphthyridine-2-carboxylic acid
CID 118660735

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid?
The IUPAC name of 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid (CID 147690365) is 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid is Cc1c(Cc2cnccc2C(=O)O)cnn1C1CCNCC1.
What is the InChIKey of 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid?
The InChIKey is GQVZEYNKSKTCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11-12(8-13-9-18-7-4-15(13)16(21)22)10-19-20(11)14-2-5-17-6-3-14/h4,7,9-10,14,17H,2-3,5-6,8H2,1H3,(H,21,22).
What are the key properties of 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid?
3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 147690365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).