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

C15H26N4O2 — CID 106640733

IUPAC1-methyl-5-[[piperidin-3-ylmethyl(propyl)amino]methyl]pyrazole-4-carboxylic acid
SMILESCCCN(Cc1c(C(=O)O)cnn1C)CC1CCCNC1
InChIInChI=1S/C15H26N4O2/c1-3-7-19(10-12-5-4-6-16-8-12)11-14-13(15(20)21)9-17-18(14)2/h9,12,16H,3-8,10-11H2,1-2H3,(H,20,21)
InChIKeySOPWPUVVLLOBKN-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.33
Rot. Bonds7

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

1-methyl-5-[[piperidin-3-ylmethyl(propyl)amino]methyl]pyrazole-4-carboxylic acid (PubChem CID 106640733) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-methyl-5-[[piperidin-3-ylmethyl(propyl)amino]methyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-[[piperidin-3-ylmethyl(propyl)amino]methyl]pyrazole-4-carboxylic acid
PubChem CID106640733
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name1-methyl-5-[[piperidin-3-ylmethyl(propyl)amino]methyl]pyrazole-4-carboxylic acid
SMILESCCCN(Cc1c(C(=O)O)cnn1C)CC1CCCNC1
InChIInChI=1S/C15H26N4O2/c1-3-7-19(10-12-5-4-6-16-8-12)11-14-13(15(20)21)9-17-18(14)2/h9,12,16H,3-8,10-11H2,1-2H3,(H,20,21)
InChIKeySOPWPUVVLLOBKN-UHFFFAOYSA-N
XLogP1.33
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-5-[[piperidin-4-ylmethyl(propyl)amino]methyl]pyrazole-4-carboxylic acid
CID 116632449
1-methyl-5-[[piperidin-3-yl(propyl)amino]methyl]pyrazole-4-carboxylic acid
CID 116632376
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-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine
CID 129381793
5-[[butyl(ethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 116631717
N-[2-(2-methylpyrazol-3-yl)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106640781
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625379
4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzamide
CID 106640797
2-[piperidin-3-ylmethyl(propyl)amino]-1-pyrrolidin-1-ylethanone
CID 106640711
N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625448
1-[2-[piperidin-3-ylmethyl(propyl)amino]ethyl]imidazolidin-2-one
CID 106640651

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[[piperidin-3-ylmethyl(propyl)amino]methyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-methyl-5-[[piperidin-3-ylmethyl(propyl)amino]methyl]pyrazole-4-carboxylic acid (CID 106640733) is 1-methyl-5-[[piperidin-3-ylmethyl(propyl)amino]methyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-5-[[piperidin-3-ylmethyl(propyl)amino]methyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-5-[[piperidin-3-ylmethyl(propyl)amino]methyl]pyrazole-4-carboxylic acid is CCCN(Cc1c(C(=O)O)cnn1C)CC1CCCNC1.
What is the InChIKey of 1-methyl-5-[[piperidin-3-ylmethyl(propyl)amino]methyl]pyrazole-4-carboxylic acid?
The InChIKey is SOPWPUVVLLOBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-3-7-19(10-12-5-4-6-16-8-12)11-14-13(15(20)21)9-17-18(14)2/h9,12,16H,3-8,10-11H2,1-2H3,(H,20,21).
What are the key properties of 1-methyl-5-[[piperidin-3-ylmethyl(propyl)amino]methyl]pyrazole-4-carboxylic acid?
1-methyl-5-[[piperidin-3-ylmethyl(propyl)amino]methyl]pyrazole-4-carboxylic acid has a molecular weight of 294.40 g/mol, XLogP of 1.33, 7 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-ylmethyl(propyl)amino]methyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 106640733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).