(2R)-1-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid

C12H14BrN3O3 — CID 119370448

IUPAC(2R)-1-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)c1n[nH]c(C2CC2)c1Br
InChIInChI=1S/C12H14BrN3O3/c13-8-9(6-3-4-6)14-15-10(8)11(17)16-5-1-2-7(16)12(18)19/h6-7H,1-5H2,(H,14,15)(H,18,19)/t7-/m1/s1
InChIKeyNZVVNBIXCXTFJD-SSDOTTSWSA-N
MW328.17 g/mol
LogP1.74
Rot. Bonds3

About (2R)-1-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid

(2R)-1-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 119370448) has the molecular formula C12H14BrN3O3 and a molecular weight of 328.17 g/mol. Its IUPAC name is (2R)-1-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID119370448
Molecular FormulaC12H14BrN3O3
Molecular Weight328.17 g/mol
Exact Mass327.02
IUPAC Name(2R)-1-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)c1n[nH]c(C2CC2)c1Br
InChIInChI=1S/C12H14BrN3O3/c13-8-9(6-3-4-6)14-15-10(8)11(17)16-5-1-2-7(16)12(18)19/h6-7H,1-5H2,(H,14,15)(H,18,19)/t7-/m1/s1
InChIKeyNZVVNBIXCXTFJD-SSDOTTSWSA-N
XLogP1.74
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(3,5-dibromo-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 167883602
(4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone
CID 47427180
(2R)-1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-2-carboxylic acid
CID 79034625
1-(3-hydroxypyridine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 19790874
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 56582638
1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 43355515
(4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-(2-phenylpyrrolidin-1-yl)methanone
CID 56560397
(2R)-1-(3-aminopyrazine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 119371307
4-bromo-N-cycloheptyl-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 47426517
(2R)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 28789702
1-(4-amino-1,2,5-oxadiazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 62687637
(2R)-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119371130

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 119370448) is (2R)-1-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)c1n[nH]c(C2CC2)c1Br.
What is the InChIKey of (2R)-1-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is NZVVNBIXCXTFJD-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H14BrN3O3/c13-8-9(6-3-4-6)14-15-10(8)11(17)16-5-1-2-7(16)12(18)19/h6-7H,1-5H2,(H,14,15)(H,18,19)/t7-/m1/s1.
What are the key properties of (2R)-1-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 328.17 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119370448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).