1-(6-methyl-5-piperidin-1-yl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid

C17H19N5O2 — CID 58156036

IUPAC1-(6-methyl-5-piperidin-1-yl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid
SMILESCc1cc2[nH]c(-n3cc(C(=O)O)cn3)nc2cc1N1CCCCC1
InChIInChI=1S/C17H19N5O2/c1-11-7-13-14(8-15(11)21-5-3-2-4-6-21)20-17(19-13)22-10-12(9-18-22)16(23)24/h7-10H,2-6H2,1H3,(H,19,20)(H,23,24)
InChIKeyJEGOPFWOETZOND-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.75
Rot. Bonds3

About 1-(6-methyl-5-piperidin-1-yl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid

1-(6-methyl-5-piperidin-1-yl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid (PubChem CID 58156036) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-(6-methyl-5-piperidin-1-yl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(6-methyl-5-piperidin-1-yl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid
PubChem CID58156036
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name1-(6-methyl-5-piperidin-1-yl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid
SMILESCc1cc2[nH]c(-n3cc(C(=O)O)cn3)nc2cc1N1CCCCC1
InChIInChI=1S/C17H19N5O2/c1-11-7-13-14(8-15(11)21-5-3-2-4-6-21)20-17(19-13)22-10-12(9-18-22)16(23)24/h7-10H,2-6H2,1H3,(H,19,20)(H,23,24)
InChIKeyJEGOPFWOETZOND-UHFFFAOYSA-N
XLogP2.75
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-5-piperidin-1-yl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(6-methyl-5-piperidin-1-yl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid (CID 58156036) is 1-(6-methyl-5-piperidin-1-yl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(6-methyl-5-piperidin-1-yl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(6-methyl-5-piperidin-1-yl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid is Cc1cc2[nH]c(-n3cc(C(=O)O)cn3)nc2cc1N1CCCCC1.
What is the InChIKey of 1-(6-methyl-5-piperidin-1-yl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid?
The InChIKey is JEGOPFWOETZOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-11-7-13-14(8-15(11)21-5-3-2-4-6-21)20-17(19-13)22-10-12(9-18-22)16(23)24/h7-10H,2-6H2,1H3,(H,19,20)(H,23,24).
What are the key properties of 1-(6-methyl-5-piperidin-1-yl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid?
1-(6-methyl-5-piperidin-1-yl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid has a molecular weight of 325.37 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-5-piperidin-1-yl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 58156036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).