(2R)-1-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidine-2-carboxylic acid

C14H21N3O3 — CID 119372128

IUPAC(2R)-1-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidine-2-carboxylic acid
SMILESCc1nn(C)c(C)c1C(C)C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C14H21N3O3/c1-8(12-9(2)15-16(4)10(12)3)13(18)17-7-5-6-11(17)14(19)20/h8,11H,5-7H2,1-4H3,(H,19,20)/t8?,11-/m1/s1
InChIKeyCPLRQMKLSBULDW-QHDYGNBISA-N
MW279.34 g/mol
LogP1.22
Rot. Bonds3

About (2R)-1-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 119372128) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is (2R)-1-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID119372128
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name(2R)-1-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidine-2-carboxylic acid
SMILESCc1nn(C)c(C)c1C(C)C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C14H21N3O3/c1-8(12-9(2)15-16(4)10(12)3)13(18)17-7-5-6-11(17)14(19)20/h8,11H,5-7H2,1-4H3,(H,19,20)/t8?,11-/m1/s1
InChIKeyCPLRQMKLSBULDW-QHDYGNBISA-N
XLogP1.22
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-2-carboxylic acid
CID 119175927
4-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholine-3-carboxylic acid
CID 119216253
(2R)-1-[(2S)-2-ethylpiperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 94820032
(2R)-1-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]pyrrolidine-2-carboxylic acid
CID 119370543
1-[3-(methylamino)piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 119488745
(2R)-1-[(2S)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]piperidine-2-carboxylic acid
CID 97323918
(2S)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 95312596
1-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-2-carboxylic acid
CID 82538019
(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidine-2-carboxylic acid
CID 10060528
1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylic acid
CID 12919062
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one
CID 95735841
(2R)-1-(2,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid
CID 78955955

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidine-2-carboxylic acid (CID 119372128) is (2R)-1-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidine-2-carboxylic acid is Cc1nn(C)c(C)c1C(C)C(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is CPLRQMKLSBULDW-QHDYGNBISA-N. The full InChI is InChI=1S/C14H21N3O3/c1-8(12-9(2)15-16(4)10(12)3)13(18)17-7-5-6-11(17)14(19)20/h8,11H,5-7H2,1-4H3,(H,19,20)/t8?,11-/m1/s1.
What are the key properties of (2R)-1-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119372128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).