3-[[1-(4-aminocyclohexyl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid

C17H22N4O2 — CID 148729773

IUPAC3-[[1-(4-aminocyclohexyl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid
SMILESCc1nn(C2CCC(N)CC2)cc1Cc1cnccc1C(=O)O
InChIInChI=1S/C17H22N4O2/c1-11-13(8-12-9-19-7-6-16(12)17(22)23)10-21(20-11)15-4-2-14(18)3-5-15/h6-7,9-10,14-15H,2-5,8,18H2,1H3,(H,22,23)
InChIKeyOASSTBUHWSDWCS-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.32
Rot. Bonds4

About 3-[[1-(4-aminocyclohexyl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid

3-[[1-(4-aminocyclohexyl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid (PubChem CID 148729773) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-[[1-(4-aminocyclohexyl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[[1-(4-aminocyclohexyl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid
PubChem CID148729773
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name3-[[1-(4-aminocyclohexyl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid
SMILESCc1nn(C2CCC(N)CC2)cc1Cc1cnccc1C(=O)O
InChIInChI=1S/C17H22N4O2/c1-11-13(8-12-9-19-7-6-16(12)17(22)23)10-21(20-11)15-4-2-14(18)3-5-15/h6-7,9-10,14-15H,2-5,8,18H2,1H3,(H,22,23)
InChIKeyOASSTBUHWSDWCS-UHFFFAOYSA-N
XLogP2.32
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.32
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
2-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-quinolinecarboxylic acid
CID 6485411
1-(2-Aminoethyl)-3-[2-(Quinolin-3-Yl)pyridin-4-Yl]-1h-Pyrazole-5-Carboxylic Acid
CID 9826115
4-[5-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-quinoxalin-2-yl)-1H-pyrazol-3-yl]-benzoic acid
CID 10690943
Benzoic acid, 4-(5-(1,5-bis(1-methylethyl)-1H-pyrazol-3-yl)-1H-pyrrol-2-yl)-
CID 135525244
2-(1-ethyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid
CID 6485380
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
5-(2-fluoropyridin-3-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid, hydrochloride
CID 12003791
2-phenyl-3-(4-pyridyl)-5-[(4-carboxy)phenyl]-1H-pyrrole
CID 44323661
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

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-aminocyclohexyl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid?
The IUPAC name of 3-[[1-(4-aminocyclohexyl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid (CID 148729773) is 3-[[1-(4-aminocyclohexyl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[[1-(4-aminocyclohexyl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[[1-(4-aminocyclohexyl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid is Cc1nn(C2CCC(N)CC2)cc1Cc1cnccc1C(=O)O.
What is the InChIKey of 3-[[1-(4-aminocyclohexyl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid?
The InChIKey is OASSTBUHWSDWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11-13(8-12-9-19-7-6-16(12)17(22)23)10-21(20-11)15-4-2-14(18)3-5-15/h6-7,9-10,14-15H,2-5,8,18H2,1H3,(H,22,23).
What are the key properties of 3-[[1-(4-aminocyclohexyl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid?
3-[[1-(4-aminocyclohexyl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid has a molecular weight of 314.39 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-aminocyclohexyl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 148729773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).