1-methyl-5-[[piperidin-3-yl(propyl)amino]methyl]pyrazole-4-carboxylic acid

C14H24N4O2 — CID 116632376

IUPAC1-methyl-5-[[piperidin-3-yl(propyl)amino]methyl]pyrazole-4-carboxylic acid
SMILESCCCN(Cc1c(C(=O)O)cnn1C)C1CCCNC1
InChIInChI=1S/C14H24N4O2/c1-3-7-18(11-5-4-6-15-8-11)10-13-12(14(19)20)9-16-17(13)2/h9,11,15H,3-8,10H2,1-2H3,(H,19,20)
InChIKeyAWYVQVOTIUHVLQ-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.08
Rot. Bonds6

About 1-methyl-5-[[piperidin-3-yl(propyl)amino]methyl]pyrazole-4-carboxylic acid

1-methyl-5-[[piperidin-3-yl(propyl)amino]methyl]pyrazole-4-carboxylic acid (PubChem CID 116632376) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-methyl-5-[[piperidin-3-yl(propyl)amino]methyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-[[piperidin-3-yl(propyl)amino]methyl]pyrazole-4-carboxylic acid
PubChem CID116632376
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-methyl-5-[[piperidin-3-yl(propyl)amino]methyl]pyrazole-4-carboxylic acid
SMILESCCCN(Cc1c(C(=O)O)cnn1C)C1CCCNC1
InChIInChI=1S/C14H24N4O2/c1-3-7-18(11-5-4-6-15-8-11)10-13-12(14(19)20)9-16-17(13)2/h9,11,15H,3-8,10H2,1-2H3,(H,19,20)
InChIKeyAWYVQVOTIUHVLQ-UHFFFAOYSA-N
XLogP1.08
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-5-[[piperidin-3-ylmethyl(propyl)amino]methyl]pyrazole-4-carboxylic acid
CID 106640733
5-[[cyclopropyl(ethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 116631752
1-methyl-5-[[piperidin-4-ylmethyl(propyl)amino]methyl]pyrazole-4-carboxylic acid
CID 116632449
N-[(1-methylpyrazol-4-yl)methyl]-N-propylpiperidin-3-amine
CID 63636731
N-[(2-methylpyrazol-3-yl)methyl]-N-propylpiperidin-3-amine
CID 63637068
5-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 116632340
N-propyl-N-[(2-propylpyrazol-3-yl)methyl]piperidin-3-amine
CID 114556340
1-methyl-5-[[methyl-(4-methylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid
CID 116631898
5-[[cyclobutylmethyl(methyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 116632078
1-methyl-5-[[methyl(piperidin-4-ylmethyl)amino]methyl]pyrazole-4-carboxylic acid
CID 116632447
N-[(3,5-dimethylphenyl)methyl]-N-propylpiperidin-3-amine
CID 63637242
5-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 106618118

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[[piperidin-3-yl(propyl)amino]methyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-methyl-5-[[piperidin-3-yl(propyl)amino]methyl]pyrazole-4-carboxylic acid (CID 116632376) is 1-methyl-5-[[piperidin-3-yl(propyl)amino]methyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-5-[[piperidin-3-yl(propyl)amino]methyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-5-[[piperidin-3-yl(propyl)amino]methyl]pyrazole-4-carboxylic acid is CCCN(Cc1c(C(=O)O)cnn1C)C1CCCNC1.
What is the InChIKey of 1-methyl-5-[[piperidin-3-yl(propyl)amino]methyl]pyrazole-4-carboxylic acid?
The InChIKey is AWYVQVOTIUHVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-3-7-18(11-5-4-6-15-8-11)10-13-12(14(19)20)9-16-17(13)2/h9,11,15H,3-8,10H2,1-2H3,(H,19,20).
What are the key properties of 1-methyl-5-[[piperidin-3-yl(propyl)amino]methyl]pyrazole-4-carboxylic acid?
1-methyl-5-[[piperidin-3-yl(propyl)amino]methyl]pyrazole-4-carboxylic acid has a molecular weight of 280.37 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[[piperidin-3-yl(propyl)amino]methyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 116632376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).