(3R)-1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid

C16H23N3O3 — CID 129414668

IUPAC(3R)-1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)(C)n1nc(C(=O)N2CC[C@@H](C(=O)O)C2)cc1C1CC1
InChIInChI=1S/C16H23N3O3/c1-16(2,3)19-13(10-4-5-10)8-12(17-19)14(20)18-7-6-11(9-18)15(21)22/h8,10-11H,4-7,9H2,1-3H3,(H,21,22)/t11-/m1/s1
InChIKeyXZIAXXHXCHWQFA-LLVKDONJSA-N
MW305.38 g/mol
LogP2.06
Rot. Bonds3

About (3R)-1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid

(3R)-1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 129414668) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is (3R)-1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID129414668
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name(3R)-1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)(C)n1nc(C(=O)N2CC[C@@H](C(=O)O)C2)cc1C1CC1
InChIInChI=1S/C16H23N3O3/c1-16(2,3)19-13(10-4-5-10)8-12(17-19)14(20)18-7-6-11(9-18)15(21)22/h8,10-11H,4-7,9H2,1-3H3,(H,21,22)/t11-/m1/s1
InChIKeyXZIAXXHXCHWQFA-LLVKDONJSA-N
XLogP2.06
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 55875478
(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120995335
2-[(2S)-4-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid
CID 124682575
(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-[(3S,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone
CID 97096989
N-(4-aminocyclohexyl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide
CID 119474690
1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 119354004
1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-N-methylpiperidine-4-carboxamide
CID 53499150
(3R,5S)-1-(5-cyclopropyl-1-methylpyrazole-3-carbonyl)-5-(trifluoromethyl)piperidine-3-carboxylic acid
CID 154767039
1-[(1,3-ditert-butylpyrazol-5-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122079262
[3-(azepan-1-yl)piperidin-1-yl]-(1-tert-butyl-5-methylpyrazol-3-yl)methanone
CID 56783509
(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methanone
CID 55767641
1-[1-(3,4-dichlorophenyl)-5-methylpyrazole-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 120533881

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid (CID 129414668) is (3R)-1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid is CC(C)(C)n1nc(C(=O)N2CC[C@@H](C(=O)O)C2)cc1C1CC1.
What is the InChIKey of (3R)-1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is XZIAXXHXCHWQFA-LLVKDONJSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-16(2,3)19-13(10-4-5-10)8-12(17-19)14(20)18-7-6-11(9-18)15(21)22/h8,10-11H,4-7,9H2,1-3H3,(H,21,22)/t11-/m1/s1.
What are the key properties of (3R)-1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid?
(3R)-1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 305.38 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 129414668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).