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

C15H19N5O2 — CID 56869404

IUPAC4-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
SMILESCc1cccnc1N1CCN(Cc2cn[nH]c2C(=O)O)CC1
InChIInChI=1S/C15H19N5O2/c1-11-3-2-4-16-14(11)20-7-5-19(6-8-20)10-12-9-17-18-13(12)15(21)22/h2-4,9H,5-8,10H2,1H3,(H,17,18)(H,21,22)
InChIKeyOMKDYACKYCLRMV-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.13
Rot. Bonds4

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

4-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid (PubChem CID 56869404) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
PubChem CID56869404
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name4-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
SMILESCc1cccnc1N1CCN(Cc2cn[nH]c2C(=O)O)CC1
InChIInChI=1S/C15H19N5O2/c1-11-3-2-4-16-14(11)20-7-5-19(6-8-20)10-12-9-17-18-13(12)15(21)22/h2-4,9H,5-8,10H2,1H3,(H,17,18)(H,21,22)
InChIKeyOMKDYACKYCLRMV-UHFFFAOYSA-N
XLogP1.13
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 4-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid (CID 56869404) is 4-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 4-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid is Cc1cccnc1N1CCN(Cc2cn[nH]c2C(=O)O)CC1.
What is the InChIKey of 4-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid?
The InChIKey is OMKDYACKYCLRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-11-3-2-4-16-14(11)20-7-5-19(6-8-20)10-12-9-17-18-13(12)15(21)22/h2-4,9H,5-8,10H2,1H3,(H,17,18)(H,21,22).
What are the key properties of 4-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid?
4-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 56869404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).