2-[1-[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]piperidin-4-yl]acetic acid

C17H27N3O3 — CID 120515511

IUPAC2-[1-[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]piperidin-4-yl]acetic acid
SMILESCCc1c(C(=O)N2CCC(CC(=O)O)CC2)cnn1CC(C)C
InChIInChI=1S/C17H27N3O3/c1-4-15-14(10-18-20(15)11-12(2)3)17(23)19-7-5-13(6-8-19)9-16(21)22/h10,12-13H,4-9,11H2,1-3H3,(H,21,22)
InChIKeyWFPFYAODXZWRRM-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.43
Rot. Bonds6

About 2-[1-[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]piperidin-4-yl]acetic acid

2-[1-[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]piperidin-4-yl]acetic acid (PubChem CID 120515511) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-[1-[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]piperidin-4-yl]acetic acid
PubChem CID120515511
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name2-[1-[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]piperidin-4-yl]acetic acid
SMILESCCc1c(C(=O)N2CCC(CC(=O)O)CC2)cnn1CC(C)C
InChIInChI=1S/C17H27N3O3/c1-4-15-14(10-18-20(15)11-12(2)3)17(23)19-7-5-13(6-8-19)9-16(21)22/h10,12-13H,4-9,11H2,1-3H3,(H,21,22)
InChIKeyWFPFYAODXZWRRM-UHFFFAOYSA-N
XLogP2.43
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 109477654
1-[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122117087
2-[1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 78887521
N-[(3R)-1-[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]piperidin-3-yl]prop-2-enamide
CID 166424543
[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-[(2S)-2-(2-fluorophenyl)azetidin-1-yl]methanone
CID 124733378
(1-tert-butyl-5-ethylpyrazol-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119646155
cis-(1S,3R)-3-[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675965
[4-(1-aminoethyl)piperidin-1-yl]-(1-tert-butyl-5-ethylpyrazol-4-yl)methanone
CID 119518724
1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 78874114
1-(2-methylpropyl)-5-propylpyrazole-4-carboxylic acid
CID 43145815
2-[1-(2-chloropyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 113227915
2-[1-(2-methylsulfanylpyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 79614868

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]piperidin-4-yl]acetic acid (CID 120515511) is 2-[1-[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]piperidin-4-yl]acetic acid is CCc1c(C(=O)N2CCC(CC(=O)O)CC2)cnn1CC(C)C.
What is the InChIKey of 2-[1-[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]piperidin-4-yl]acetic acid?
The InChIKey is WFPFYAODXZWRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-4-15-14(10-18-20(15)11-12(2)3)17(23)19-7-5-13(6-8-19)9-16(21)22/h10,12-13H,4-9,11H2,1-3H3,(H,21,22).
What are the key properties of 2-[1-[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]piperidin-4-yl]acetic acid?
2-[1-[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]piperidin-4-yl]acetic acid has a molecular weight of 321.42 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 120515511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).