1-[1-[(5-tert-butyl-3-pyridinyl)methyl]piperidin-4-yl]pyrazole-3-carboxylic acid

C19H26N4O2 — CID 167923021

IUPAC1-[1-[(5-tert-butyl-3-pyridinyl)methyl]piperidin-4-yl]pyrazole-3-carboxylic acid
SMILESCC(C)(C)c1cncc(CN2CCC(n3ccc(C(=O)O)n3)CC2)c1
InChIInChI=1S/C19H26N4O2/c1-19(2,3)15-10-14(11-20-12-15)13-22-7-4-16(5-8-22)23-9-6-17(21-23)18(24)25/h6,9-12,16H,4-5,7-8,13H2,1-3H3,(H,24,25)
InChIKeyNXETXBHSHVQXJB-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.11
Rot. Bonds4

About 1-[1-[(5-tert-butyl-3-pyridinyl)methyl]piperidin-4-yl]pyrazole-3-carboxylic acid

1-[1-[(5-tert-butyl-3-pyridinyl)methyl]piperidin-4-yl]pyrazole-3-carboxylic acid (PubChem CID 167923021) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[1-[(5-tert-butyl-3-pyridinyl)methyl]piperidin-4-yl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-[(5-tert-butyl-3-pyridinyl)methyl]piperidin-4-yl]pyrazole-3-carboxylic acid
PubChem CID167923021
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[1-[(5-tert-butyl-3-pyridinyl)methyl]piperidin-4-yl]pyrazole-3-carboxylic acid
SMILESCC(C)(C)c1cncc(CN2CCC(n3ccc(C(=O)O)n3)CC2)c1
InChIInChI=1S/C19H26N4O2/c1-19(2,3)15-10-14(11-20-12-15)13-22-7-4-16(5-8-22)23-9-6-17(21-23)18(24)25/h6,9-12,16H,4-5,7-8,13H2,1-3H3,(H,24,25)
InChIKeyNXETXBHSHVQXJB-UHFFFAOYSA-N
XLogP3.11
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(5-cyclobutyl-2-pyridinyl)methyl]piperidin-4-yl]pyrazole-3-carboxylic acid
CID 166295148
1-(4-methylcyclohexyl)pyrazole-3-carboxylic acid
CID 64748929
[4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1,4-diazepan-1-yl]-(1-cyclopentylpyrazol-3-yl)methanone
CID 95751681
3-tert-butyl-5-[[(2S)-2-methylpiperidin-1-yl]methyl]pyridine
CID 118632997
1-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-amine
CID 107109823
1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]pyrazole-3-carboxylic acid
CID 125453219
1-[1-[(5-methyl-3-pyridinyl)methyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 102877541
1-(1-cyclobutylpyrazol-3-yl)propan-1-one
CID 174824518
3-bromo-5-[(4-tert-butylpiperidin-1-yl)methyl]pyridine
CID 115630376
1-[(6-tert-butyl-3-pyridinyl)methyl]piperidin-4-ol
CID 134595430
3-[(4-tert-butylpiperidin-1-yl)methyl]-5-fluoropyridine
CID 70894132
4-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-methylbutan-2-ol
CID 107109591

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-tert-butyl-3-pyridinyl)methyl]piperidin-4-yl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[1-[(5-tert-butyl-3-pyridinyl)methyl]piperidin-4-yl]pyrazole-3-carboxylic acid (CID 167923021) is 1-[1-[(5-tert-butyl-3-pyridinyl)methyl]piperidin-4-yl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[1-[(5-tert-butyl-3-pyridinyl)methyl]piperidin-4-yl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[1-[(5-tert-butyl-3-pyridinyl)methyl]piperidin-4-yl]pyrazole-3-carboxylic acid is CC(C)(C)c1cncc(CN2CCC(n3ccc(C(=O)O)n3)CC2)c1.
What is the InChIKey of 1-[1-[(5-tert-butyl-3-pyridinyl)methyl]piperidin-4-yl]pyrazole-3-carboxylic acid?
The InChIKey is NXETXBHSHVQXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-19(2,3)15-10-14(11-20-12-15)13-22-7-4-16(5-8-22)23-9-6-17(21-23)18(24)25/h6,9-12,16H,4-5,7-8,13H2,1-3H3,(H,24,25).
What are the key properties of 1-[1-[(5-tert-butyl-3-pyridinyl)methyl]piperidin-4-yl]pyrazole-3-carboxylic acid?
1-[1-[(5-tert-butyl-3-pyridinyl)methyl]piperidin-4-yl]pyrazole-3-carboxylic acid has a molecular weight of 342.44 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-tert-butyl-3-pyridinyl)methyl]piperidin-4-yl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 167923021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).