4-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid

C15H21N5O2 — CID 131925297

IUPAC4-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
SMILESCc1nccn1CC1CCCN(Cc2cn[nH]c2C(=O)O)C1
InChIInChI=1S/C15H21N5O2/c1-11-16-4-6-20(11)9-12-3-2-5-19(8-12)10-13-7-17-18-14(13)15(21)22/h4,6-7,12H,2-3,5,8-10H2,1H3,(H,17,18)(H,21,22)
InChIKeyXCBZBRYDLQBQIF-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.53
Rot. Bonds5

About 4-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid

4-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid (PubChem CID 131925297) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 4-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
PubChem CID131925297
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name4-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
SMILESCc1nccn1CC1CCCN(Cc2cn[nH]c2C(=O)O)C1
InChIInChI=1S/C15H21N5O2/c1-11-16-4-6-20(11)9-12-3-2-5-19(8-12)10-13-7-17-18-14(13)15(21)22/h4,6-7,12H,2-3,5,8-10H2,1H3,(H,17,18)(H,21,22)
InChIKeyXCBZBRYDLQBQIF-UHFFFAOYSA-N
XLogP1.53
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 4-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid (CID 131925297) is 4-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 4-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid is Cc1nccn1CC1CCCN(Cc2cn[nH]c2C(=O)O)C1.
What is the InChIKey of 4-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid?
The InChIKey is XCBZBRYDLQBQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-11-16-4-6-20(11)9-12-3-2-5-19(8-12)10-13-7-17-18-14(13)15(21)22/h4,6-7,12H,2-3,5,8-10H2,1H3,(H,17,18)(H,21,22).
What are the key properties of 4-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid?
4-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid has a molecular weight of 303.37 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 131925297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).