(3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid

C10H13N3O3 — CID 94917576

IUPAC(3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCn1nccc1C(=O)N1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C10H13N3O3/c1-12-8(2-4-11-12)9(14)13-5-3-7(6-13)10(15)16/h2,4,7H,3,5-6H2,1H3,(H,15,16)/t7-/m1/s1
InChIKeyRQUYGTICCAWHNN-SSDOTTSWSA-N
MW223.23 g/mol
LogP-0.03
Rot. Bonds2

About (3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid

(3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 94917576) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is (3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID94917576
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name(3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCn1nccc1C(=O)N1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C10H13N3O3/c1-12-8(2-4-11-12)9(14)13-5-3-7(6-13)10(15)16/h2,4,7H,3,5-6H2,1H3,(H,15,16)/t7-/m1/s1
InChIKeyRQUYGTICCAWHNN-SSDOTTSWSA-N
XLogP-0.03
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylpyrazole-3-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918339
(3-aminopiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone
CID 61297196
(2-methylpyrazol-3-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone
CID 91921429
ethyl 1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylate
CID 43664914
[(3S)-3-methylpiperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 81428793
1-(2-methylpyrazole-3-carbonyl)azetidine-2-carboxylic acid
CID 131052375
1-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 110467110
3-methyl-1-(2-methylpyrazole-3-carbonyl)piperidin-4-one
CID 114499805
[4-(1-bromoethyl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 106839312
1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 119354004
(2-methylpyrazol-3-yl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 124725379
(2-methylpyrazol-3-yl)-[3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 121019588

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid (CID 94917576) is (3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid is Cn1nccc1C(=O)N1CC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is RQUYGTICCAWHNN-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-12-8(2-4-11-12)9(14)13-5-3-7(6-13)10(15)16/h2,4,7H,3,5-6H2,1H3,(H,15,16)/t7-/m1/s1.
What are the key properties of (3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid?
(3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 94917576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).