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

C15H23N3O4 — CID 95826384

IUPAC1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(Cn2cc(C(=O)O)cn2)CC1
InChIInChI=1S/C15H23N3O4/c1-15(2,3)22-14(21)17-6-4-11(5-7-17)9-18-10-12(8-16-18)13(19)20/h8,10-11H,4-7,9H2,1-3H3,(H,19,20)
InChIKeyYGCYOCICFPWHNN-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.23
Rot. Bonds3

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

1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxylic acid (PubChem CID 95826384) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxylic acid
PubChem CID95826384
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(Cn2cc(C(=O)O)cn2)CC1
InChIInChI=1S/C15H23N3O4/c1-15(2,3)22-14(21)17-6-4-11(5-7-17)9-18-10-12(8-16-18)13(19)20/h8,10-11H,4-7,9H2,1-3H3,(H,19,20)
InChIKeyYGCYOCICFPWHNN-UHFFFAOYSA-N
XLogP2.23
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-(t-Butoxycarbonyl)-1H-pyrazole-4-carboxylic acid
CID 17854509
1-(cyclohexylmethyl)-1H-pyrazole-4-carboxylic acid
CID 43565351
1-(1-((tert-butoxy)carbonyl)piperidin-4-yl)-1H-pyrazole-4-carboxylic acid
CID 53485897
1-[(oxan-4-yl)methyl]-1H-pyrazole-4-carboxylic acid
CID 62386068
1-(1-((tert-butoxy)carbonyl)piperidin-3-yl)-1H-pyrazole-4-carboxylic acid
CID 71255768
tert-butyl 4-(4-formyl-1H-pyrazol-1-yl)piperidine-1-carboxylate
CID 86810415
1-{1-[(tert-butoxy)carbonyl]azetidin-3-yl}-1H-pyrazole-4-carboxylic acid
CID 105516503
1-((1-(tert-Butoxycarbonyl)azetidin-3-yl)methyl)-1H-pyrazole-4-carboxylic acid
CID 129052293
1-(2-((tert-Butoxycarbonyl)amino)ethyl)-1H-pyrazole-4-carboxylic acid
CID 129052329
(3R*,4R*)-4-(2-methoxyethyl)-3-methyl-1-[(1-methyl-1H-pyrazol-4-yl)carbonyl]-4-piperidinol
CID 72911841
1-(cyclobutylmethyl)-1H-pyrazole-4-carboxylic acid
CID 56604617
1-[(E)-3-fluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enyl]pyrazole-4-carboxylic acid
CID 154637378

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxylic acid (CID 95826384) is 1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxylic acid is CC(C)(C)OC(=O)N1CCC(Cn2cc(C(=O)O)cn2)CC1.
What is the InChIKey of 1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxylic acid?
The InChIKey is YGCYOCICFPWHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-15(2,3)22-14(21)17-6-4-11(5-7-17)9-18-10-12(8-16-18)13(19)20/h8,10-11H,4-7,9H2,1-3H3,(H,19,20).
What are the key properties of 1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxylic acid?
1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxylic acid has a molecular weight of 309.37 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 95826384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).