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

C17H25N3O4 — CID 119252037

IUPAC1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
SMILESCC(C)(C)n1nc(C(=O)N2CCC(O)(C(=O)O)CC2)cc1C1CC1
InChIInChI=1S/C17H25N3O4/c1-16(2,3)20-13(11-4-5-11)10-12(18-20)14(21)19-8-6-17(24,7-9-19)15(22)23/h10-11,24H,4-9H2,1-3H3,(H,22,23)
InChIKeyXDPJRBWRGHNRIN-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.57
Rot. Bonds3

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

1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 119252037) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
PubChem CID119252037
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
SMILESCC(C)(C)n1nc(C(=O)N2CCC(O)(C(=O)O)CC2)cc1C1CC1
InChIInChI=1S/C17H25N3O4/c1-16(2,3)20-13(11-4-5-11)10-12(18-20)14(21)19-8-6-17(24,7-9-19)15(22)23/h10-11,24H,4-9H2,1-3H3,(H,22,23)
InChIKeyXDPJRBWRGHNRIN-UHFFFAOYSA-N
XLogP1.57
TPSA95.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-piperazin-1-ylmethanone
CID 119400332
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-tert-butyl-5-cyclopropylpyrazol-3-yl)methanone;hydrochloride
CID 120807392
(3R)-1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 129414668
[1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 55875478
(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110900068
2-[(2S)-4-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid
CID 124682575
(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120995335
(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-[(3S,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone
CID 97096989
(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methanone
CID 55767641
1-(5-tert-butyl-1H-pyrazole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251846
N-(4-aminocyclohexyl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide
CID 119474690
(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 55766684

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid (CID 119252037) is 1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid is CC(C)(C)n1nc(C(=O)N2CCC(O)(C(=O)O)CC2)cc1C1CC1.
What is the InChIKey of 1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is XDPJRBWRGHNRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-16(2,3)20-13(11-4-5-11)10-12(18-20)14(21)19-8-6-17(24,7-9-19)15(22)23/h10-11,24H,4-9H2,1-3H3,(H,22,23).
What are the key properties of 1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 335.40 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 119252037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).