1-(5-tert-butyl-1H-pyrazole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid

C14H21N3O4 — CID 119251846

IUPAC1-(5-tert-butyl-1H-pyrazole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
SMILESCC(C)(C)c1cc(C(=O)N2CCC(O)(C(=O)O)CC2)n[nH]1
InChIInChI=1S/C14H21N3O4/c1-13(2,3)10-8-9(15-16-10)11(18)17-6-4-14(21,5-7-17)12(19)20/h8,21H,4-7H2,1-3H3,(H,15,16)(H,19,20)
InChIKeyPPEJBZKWSJWGPD-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.76
Rot. Bonds2

About 1-(5-tert-butyl-1H-pyrazole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid

1-(5-tert-butyl-1H-pyrazole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 119251846) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-(5-tert-butyl-1H-pyrazole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-tert-butyl-1H-pyrazole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
PubChem CID119251846
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name1-(5-tert-butyl-1H-pyrazole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
SMILESCC(C)(C)c1cc(C(=O)N2CCC(O)(C(=O)O)CC2)n[nH]1
InChIInChI=1S/C14H21N3O4/c1-13(2,3)10-8-9(15-16-10)11(18)17-6-4-14(21,5-7-17)12(19)20/h8,21H,4-7H2,1-3H3,(H,15,16)(H,19,20)
InChIKeyPPEJBZKWSJWGPD-UHFFFAOYSA-N
XLogP0.76
TPSA106.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(5-tert-butyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone
CID 110848778
(5-tert-butyl-1H-pyrazol-3-yl)-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone
CID 110109059
4-(5-tert-butyl-1H-pyrazole-3-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 86994233
(5-tert-butyl-1H-pyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 110853153
(5-tert-butyl-1H-pyrazol-3-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 166216883
(5-tert-butyl-1H-pyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 119580078
(5-tert-butyl-1H-pyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 110856017
1-(4-tert-butylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251479
[3-(aminomethyl)pyrrolidin-1-yl]-(5-tert-butyl-1H-pyrazol-3-yl)methanone
CID 119486615
(5-tert-butyl-1H-pyrazol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 110854273
1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119252037
1-[4-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 86821006

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1H-pyrazole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-(5-tert-butyl-1H-pyrazole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid (CID 119251846) is 1-(5-tert-butyl-1H-pyrazole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-tert-butyl-1H-pyrazole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-tert-butyl-1H-pyrazole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid is CC(C)(C)c1cc(C(=O)N2CCC(O)(C(=O)O)CC2)n[nH]1.
What is the InChIKey of 1-(5-tert-butyl-1H-pyrazole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is PPEJBZKWSJWGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-13(2,3)10-8-9(15-16-10)11(18)17-6-4-14(21,5-7-17)12(19)20/h8,21H,4-7H2,1-3H3,(H,15,16)(H,19,20).
What are the key properties of 1-(5-tert-butyl-1H-pyrazole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
1-(5-tert-butyl-1H-pyrazole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 0.76, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1H-pyrazole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 119251846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).