4-[(4-tert-butylpyrazol-1-yl)methyl]piperidine-1-carboxylic acid

C14H23N3O2 — CID 146381080

IUPAC4-[(4-tert-butylpyrazol-1-yl)methyl]piperidine-1-carboxylic acid
SMILESCC(C)(C)c1cnn(CC2CCN(C(=O)O)CC2)c1
InChIInChI=1S/C14H23N3O2/c1-14(2,3)12-8-15-17(10-12)9-11-4-6-16(7-5-11)13(18)19/h8,10-11H,4-7,9H2,1-3H3,(H,18,19)
InChIKeyWFZDTGCXLODNCI-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.57
Rot. Bonds2

About 4-[(4-tert-butylpyrazol-1-yl)methyl]piperidine-1-carboxylic acid

4-[(4-tert-butylpyrazol-1-yl)methyl]piperidine-1-carboxylic acid (PubChem CID 146381080) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[(4-tert-butylpyrazol-1-yl)methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-tert-butylpyrazol-1-yl)methyl]piperidine-1-carboxylic acid
PubChem CID146381080
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-[(4-tert-butylpyrazol-1-yl)methyl]piperidine-1-carboxylic acid
SMILESCC(C)(C)c1cnn(CC2CCN(C(=O)O)CC2)c1
InChIInChI=1S/C14H23N3O2/c1-14(2,3)12-8-15-17(10-12)9-11-4-6-16(7-5-11)13(18)19/h8,10-11H,4-7,9H2,1-3H3,(H,18,19)
InChIKeyWFZDTGCXLODNCI-UHFFFAOYSA-N
XLogP2.57
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-aminopyrazol-1-yl)methyl]piperidine-1-carboxylic acid
CID 174878314
1-[[1-[2-(dimethylamino)acetyl]piperidin-4-yl]methyl]pyrazole-4-carboxylic acid
CID 95826382
1-[[1-(2-methoxyacetyl)piperidin-4-yl]methyl]pyrazole-4-carboxylic acid
CID 95826381
1-(cyclopropylmethyl)-4-(2-methylbutan-2-yl)pyrazole
CID 155261599
4-[2-(4-tert-butylphenyl)ethyl]piperidine-1-carboxylic acid
CID 174516040
4-[1-(cyclopropylmethyl)pyrazol-4-yl]benzoic acid
CID 122555883
3-[(4-aminopyrazol-1-yl)methyl]piperidine-1-carboxylic acid
CID 123848146
1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-ol
CID 117124738
2-methyl-3-[1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrazol-4-yl]benzoic acid
CID 171362114
1-(thietan-3-ylmethyl)pyrazole-4-carboxylic acid
CID 84668330
1-[1-(cyclopentylmethyl)pyrazol-4-yl]ethanone
CID 62727814
4,5,6-trimethyl-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 91830233

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylpyrazol-1-yl)methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(4-tert-butylpyrazol-1-yl)methyl]piperidine-1-carboxylic acid (CID 146381080) is 4-[(4-tert-butylpyrazol-1-yl)methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(4-tert-butylpyrazol-1-yl)methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(4-tert-butylpyrazol-1-yl)methyl]piperidine-1-carboxylic acid is CC(C)(C)c1cnn(CC2CCN(C(=O)O)CC2)c1.
What is the InChIKey of 4-[(4-tert-butylpyrazol-1-yl)methyl]piperidine-1-carboxylic acid?
The InChIKey is WFZDTGCXLODNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-14(2,3)12-8-15-17(10-12)9-11-4-6-16(7-5-11)13(18)19/h8,10-11H,4-7,9H2,1-3H3,(H,18,19).
What are the key properties of 4-[(4-tert-butylpyrazol-1-yl)methyl]piperidine-1-carboxylic acid?
4-[(4-tert-butylpyrazol-1-yl)methyl]piperidine-1-carboxylic acid has a molecular weight of 265.36 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylpyrazol-1-yl)methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 146381080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).