1-[1-[[6-(2-methylpropyl)-3-pyridinyl]methyl]piperidin-3-yl]pyrazole-4-carboxylic acid

C19H26N4O2 — CID 166268316

IUPAC1-[1-[[6-(2-methylpropyl)-3-pyridinyl]methyl]piperidin-3-yl]pyrazole-4-carboxylic acid
SMILESCC(C)Cc1ccc(CN2CCCC(n3cc(C(=O)O)cn3)C2)cn1
InChIInChI=1S/C19H26N4O2/c1-14(2)8-17-6-5-15(9-20-17)11-22-7-3-4-18(13-22)23-12-16(10-21-23)19(24)25/h5-6,9-10,12,14,18H,3-4,7-8,11,13H2,1-2H3,(H,24,25)
InChIKeyFVDDSQNIUYLCLV-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.01
Rot. Bonds6

About 1-[1-[[6-(2-methylpropyl)-3-pyridinyl]methyl]piperidin-3-yl]pyrazole-4-carboxylic acid

1-[1-[[6-(2-methylpropyl)-3-pyridinyl]methyl]piperidin-3-yl]pyrazole-4-carboxylic acid (PubChem CID 166268316) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[1-[[6-(2-methylpropyl)-3-pyridinyl]methyl]piperidin-3-yl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-[[6-(2-methylpropyl)-3-pyridinyl]methyl]piperidin-3-yl]pyrazole-4-carboxylic acid
PubChem CID166268316
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[1-[[6-(2-methylpropyl)-3-pyridinyl]methyl]piperidin-3-yl]pyrazole-4-carboxylic acid
SMILESCC(C)Cc1ccc(CN2CCCC(n3cc(C(=O)O)cn3)C2)cn1
InChIInChI=1S/C19H26N4O2/c1-14(2)8-17-6-5-15(9-20-17)11-22-7-3-4-18(13-22)23-12-16(10-21-23)19(24)25/h5-6,9-10,12,14,18H,3-4,7-8,11,13H2,1-2H3,(H,24,25)
InChIKeyFVDDSQNIUYLCLV-UHFFFAOYSA-N
XLogP3.01
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylpropyl)-5-[(3-methylsulfonylpiperidin-1-yl)methyl]pyridine
CID 154780977
N-methyl-N-[1-[[6-(2-methylpropyl)-3-pyridinyl]methyl]piperidin-4-yl]methanesulfonamide
CID 154770803
4-[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]benzoic acid
CID 72938414
1-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 126948057
1-[(3R)-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-3-yl]pyrazole-4-carboxylic acid
CID 97252988
4-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]benzoic acid
CID 97201982
1-[(3R)-1-(2-methoxyacetyl)pyrrolidin-3-yl]pyrazole-4-carboxylic acid
CID 95804209
4-[3-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]butan-2-one
CID 155402038
1-[1-(3-methylbenzoyl)piperidin-3-yl]pyrazole-4-carboxylic acid
CID 166193415
1-cyclohexyl-4-(2-methylpropyl)pyrazole
CID 155207502
(3S)-1-[(6-tert-butyl-3-pyridinyl)methyl]piperidin-3-ol
CID 134595793
1-(8-methylnonyl)-3-(4-methylpyrazol-1-yl)piperidine
CID 155404629

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[6-(2-methylpropyl)-3-pyridinyl]methyl]piperidin-3-yl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[1-[[6-(2-methylpropyl)-3-pyridinyl]methyl]piperidin-3-yl]pyrazole-4-carboxylic acid (CID 166268316) is 1-[1-[[6-(2-methylpropyl)-3-pyridinyl]methyl]piperidin-3-yl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[1-[[6-(2-methylpropyl)-3-pyridinyl]methyl]piperidin-3-yl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[1-[[6-(2-methylpropyl)-3-pyridinyl]methyl]piperidin-3-yl]pyrazole-4-carboxylic acid is CC(C)Cc1ccc(CN2CCCC(n3cc(C(=O)O)cn3)C2)cn1.
What is the InChIKey of 1-[1-[[6-(2-methylpropyl)-3-pyridinyl]methyl]piperidin-3-yl]pyrazole-4-carboxylic acid?
The InChIKey is FVDDSQNIUYLCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14(2)8-17-6-5-15(9-20-17)11-22-7-3-4-18(13-22)23-12-16(10-21-23)19(24)25/h5-6,9-10,12,14,18H,3-4,7-8,11,13H2,1-2H3,(H,24,25).
What are the key properties of 1-[1-[[6-(2-methylpropyl)-3-pyridinyl]methyl]piperidin-3-yl]pyrazole-4-carboxylic acid?
1-[1-[[6-(2-methylpropyl)-3-pyridinyl]methyl]piperidin-3-yl]pyrazole-4-carboxylic acid has a molecular weight of 342.44 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[6-(2-methylpropyl)-3-pyridinyl]methyl]piperidin-3-yl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 166268316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).