5-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazole-4-carboxylic acid

C15H23N3O4 — CID 146081933

IUPAC5-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazole-4-carboxylic acid
SMILESCc1c(C(=O)O)cnn1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H23N3O4/c1-10-12(13(19)20)9-16-18(10)11-5-7-17(8-6-11)14(21)22-15(2,3)4/h9,11H,5-8H2,1-4H3,(H,19,20)
InChIKeyYLBXESNQJSBTDA-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.46
Rot. Bonds2

About 5-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazole-4-carboxylic acid

5-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazole-4-carboxylic acid (PubChem CID 146081933) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazole-4-carboxylic acid
PubChem CID146081933
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name5-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazole-4-carboxylic acid
SMILESCc1c(C(=O)O)cnn1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H23N3O4/c1-10-12(13(19)20)9-16-18(10)11-5-7-17(8-6-11)14(21)22-15(2,3)4/h9,11H,5-8H2,1-4H3,(H,19,20)
InChIKeyYLBXESNQJSBTDA-UHFFFAOYSA-N
XLogP2.46
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,5-Dimethyl-1H-pyrazole-4-carboxylic acid
CID 1273303
1,3-dimethyl-1H-pyrazole-4-carboxylic acid
CID 1273304
5-Methyl-1-propyl-1H-pyrazole-4-carboxylic acid
CID 646418
1-Ethyl-3-methyl-1H-pyrazole-4-carboxylic acid
CID 1075881
1-ethyl-5-methyl-1H-pyrazole-4-carboxylic acid
CID 1075882
5-methyl-1-(pentan-3-yl)-1H-pyrazole-4-carboxylic acid
CID 61270534
3-methyl-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid
CID 14277911
1-butyl-3-methyl-1H-pyrazole-4-carboxylic acid
CID 14277913
1-(1,1-Dimethylethyl)-3-methyl-1H-pyrazole-4-carboxylic acid
CID 14277914
1-tert-butyl-5-methyl-1H-pyrazole-4-carboxylic acid
CID 22227903
1-cyclohexyl-5-methyl-1H-pyrazole-4-carboxylic acid
CID 22227966
5-methyl-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid
CID 23005671

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazole-4-carboxylic acid?
The IUPAC name of 5-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazole-4-carboxylic acid (CID 146081933) is 5-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazole-4-carboxylic acid is Cc1c(C(=O)O)cnn1C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of 5-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazole-4-carboxylic acid?
The InChIKey is YLBXESNQJSBTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-10-12(13(19)20)9-16-18(10)11-5-7-17(8-6-11)14(21)22-15(2,3)4/h9,11H,5-8H2,1-4H3,(H,19,20).
What are the key properties of 5-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazole-4-carboxylic acid?
5-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazole-4-carboxylic acid has a molecular weight of 309.37 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 146081933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).