(3R)-1-(1-tert-butylpyrazole-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid

C14H21N3O3 — CID 124682532

IUPAC(3R)-1-(1-tert-butylpyrazole-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCC(C)(C)n1cc(C(=O)N2CC[C@@](C)(C(=O)O)C2)cn1
InChIInChI=1S/C14H21N3O3/c1-13(2,3)17-8-10(7-15-17)11(18)16-6-5-14(4,9-16)12(19)20/h7-8H,5-6,9H2,1-4H3,(H,19,20)/t14-/m1/s1
InChIKeyOYLNFHIMYUAICQ-CQSZACIVSA-N
MW279.34 g/mol
LogP1.57
Rot. Bonds2

About (3R)-1-(1-tert-butylpyrazole-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid

(3R)-1-(1-tert-butylpyrazole-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 124682532) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is (3R)-1-(1-tert-butylpyrazole-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(1-tert-butylpyrazole-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
PubChem CID124682532
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name(3R)-1-(1-tert-butylpyrazole-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCC(C)(C)n1cc(C(=O)N2CC[C@@](C)(C(=O)O)C2)cn1
InChIInChI=1S/C14H21N3O3/c1-13(2,3)17-8-10(7-15-17)11(18)16-6-5-14(4,9-16)12(19)20/h7-8H,5-6,9H2,1-4H3,(H,19,20)/t14-/m1/s1
InChIKeyOYLNFHIMYUAICQ-CQSZACIVSA-N
XLogP1.57
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63142818
(3S)-1-[1-(4-chlorophenyl)pyrazole-4-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 125149094
1-(4-aminobenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63144123
(3R)-1-[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124695801
3-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63142817
3-methyl-1-[4-(1,3-oxazol-5-yl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119257328
1-(4-ethylbenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55164202
1-(3,4-dimethylbenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55166899
(3S)-3-methyl-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 125148601
(1-tert-butylpyrazol-4-yl)-[(3S)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 95981076
(3R)-3-methyl-1-[4-(trifluoromethoxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 124692692
3-methyl-1-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 120529248

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-tert-butylpyrazole-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(1-tert-butylpyrazole-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid (CID 124682532) is (3R)-1-(1-tert-butylpyrazole-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(1-tert-butylpyrazole-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(1-tert-butylpyrazole-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid is CC(C)(C)n1cc(C(=O)N2CC[C@@](C)(C(=O)O)C2)cn1.
What is the InChIKey of (3R)-1-(1-tert-butylpyrazole-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is OYLNFHIMYUAICQ-CQSZACIVSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-13(2,3)17-8-10(7-15-17)11(18)16-6-5-14(4,9-16)12(19)20/h7-8H,5-6,9H2,1-4H3,(H,19,20)/t14-/m1/s1.
What are the key properties of (3R)-1-(1-tert-butylpyrazole-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
(3R)-1-(1-tert-butylpyrazole-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1-tert-butylpyrazole-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 124682532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).