1-methyl-5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyrazole-4-carboxylic acid

C14H18N4O2 — CID 116632248

IUPAC1-methyl-5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyrazole-4-carboxylic acid
SMILESCc1cccc(CN(C)Cc2c(C(=O)O)cnn2C)n1
InChIInChI=1S/C14H18N4O2/c1-10-5-4-6-11(16-10)8-17(2)9-13-12(14(19)20)7-15-18(13)3/h4-7H,8-9H2,1-3H3,(H,19,20)
InChIKeyGXFVQUZGOFBALO-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.45
Rot. Bonds5

About 1-methyl-5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyrazole-4-carboxylic acid

1-methyl-5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyrazole-4-carboxylic acid (PubChem CID 116632248) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-methyl-5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyrazole-4-carboxylic acid
PubChem CID116632248
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-methyl-5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyrazole-4-carboxylic acid
SMILESCc1cccc(CN(C)Cc2c(C(=O)O)cnn2C)n1
InChIInChI=1S/C14H18N4O2/c1-10-5-4-6-11(16-10)8-17(2)9-13-12(14(19)20)7-15-18(13)3/h4-7H,8-9H2,1-3H3,(H,19,20)
InChIKeyGXFVQUZGOFBALO-UHFFFAOYSA-N
XLogP1.45
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-methyl-5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyrazole-4-carboxylic acid (CID 116632248) is 1-methyl-5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyrazole-4-carboxylic acid is Cc1cccc(CN(C)Cc2c(C(=O)O)cnn2C)n1.
What is the InChIKey of 1-methyl-5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyrazole-4-carboxylic acid?
The InChIKey is GXFVQUZGOFBALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10-5-4-6-11(16-10)8-17(2)9-13-12(14(19)20)7-15-18(13)3/h4-7H,8-9H2,1-3H3,(H,19,20).
What are the key properties of 1-methyl-5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyrazole-4-carboxylic acid?
1-methyl-5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyrazole-4-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 116632248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).