1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrole-2-carboxylic acid

C15H20N4O2 — CID 62716607

IUPAC1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrole-2-carboxylic acid
SMILESCn1cc(CN2CCC(n3cccc3C(=O)O)CC2)cn1
InChIInChI=1S/C15H20N4O2/c1-17-10-12(9-16-17)11-18-7-4-13(5-8-18)19-6-2-3-14(19)15(20)21/h2-3,6,9-10,13H,4-5,7-8,11H2,1H3,(H,20,21)
InChIKeyFRTQLUQHGOXXNI-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.76
Rot. Bonds4

About 1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrole-2-carboxylic acid

1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrole-2-carboxylic acid (PubChem CID 62716607) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrole-2-carboxylic acid
PubChem CID62716607
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrole-2-carboxylic acid
SMILESCn1cc(CN2CCC(n3cccc3C(=O)O)CC2)cn1
InChIInChI=1S/C15H20N4O2/c1-17-10-12(9-16-17)11-18-7-4-13(5-8-18)19-6-2-3-14(19)15(20)21/h2-3,6,9-10,13H,4-5,7-8,11H2,1H3,(H,20,21)
InChIKeyFRTQLUQHGOXXNI-UHFFFAOYSA-N
XLogP1.76
TPSA63.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrole-2-carboxylic acid (CID 62716607) is 1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrole-2-carboxylic acid is Cn1cc(CN2CCC(n3cccc3C(=O)O)CC2)cn1.
What is the InChIKey of 1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrole-2-carboxylic acid?
The InChIKey is FRTQLUQHGOXXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-17-10-12(9-16-17)11-18-7-4-13(5-8-18)19-6-2-3-14(19)15(20)21/h2-3,6,9-10,13H,4-5,7-8,11H2,1H3,(H,20,21).
What are the key properties of 1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrole-2-carboxylic acid?
1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrole-2-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 62716607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).