(2R)-2-[(5-methyl-1H-pyrazol-4-yl)carbamoyl]pyrrolidine-1-carboxylic acid

C10H14N4O3 — CID 155225300

IUPAC(2R)-2-[(5-methyl-1H-pyrazol-4-yl)carbamoyl]pyrrolidine-1-carboxylic acid
SMILESCc1[nH]ncc1NC(=O)[C@H]1CCCN1C(=O)O
InChIInChI=1S/C10H14N4O3/c1-6-7(5-11-13-6)12-9(15)8-3-2-4-14(8)10(16)17/h5,8H,2-4H2,1H3,(H,11,13)(H,12,15)(H,16,17)/t8-/m1/s1
InChIKeyTZSDDFJVEAHOQN-MRVPVSSYSA-N
MW238.25 g/mol
LogP0.80
Rot. Bonds2

About (2R)-2-[(5-methyl-1H-pyrazol-4-yl)carbamoyl]pyrrolidine-1-carboxylic acid

(2R)-2-[(5-methyl-1H-pyrazol-4-yl)carbamoyl]pyrrolidine-1-carboxylic acid (PubChem CID 155225300) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is (2R)-2-[(5-methyl-1H-pyrazol-4-yl)carbamoyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-[(5-methyl-1H-pyrazol-4-yl)carbamoyl]pyrrolidine-1-carboxylic acid
PubChem CID155225300
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name(2R)-2-[(5-methyl-1H-pyrazol-4-yl)carbamoyl]pyrrolidine-1-carboxylic acid
SMILESCc1[nH]ncc1NC(=O)[C@H]1CCCN1C(=O)O
InChIInChI=1S/C10H14N4O3/c1-6-7(5-11-13-6)12-9(15)8-3-2-4-14(8)10(16)17/h5,8H,2-4H2,1H3,(H,11,13)(H,12,15)(H,16,17)/t8-/m1/s1
InChIKeyTZSDDFJVEAHOQN-MRVPVSSYSA-N
XLogP0.80
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 78993916
N-(5-methyl-1H-pyrazol-4-yl)piperidine-2-carboxamide
CID 110837895
(2S)-2-(phenylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 69195937
1-(2,2-dimethylpropanoyl)-N-(4-ethyl-1H-pyrazol-5-yl)pyrrolidine-2-carboxamide
CID 104620312
1-(2,2-dimethylpropanoyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)pyrrolidine-2-carboxamide
CID 104620104
1,1-dimethyl-3-(5-methyl-1H-pyrazol-4-yl)urea
CID 20784611
(3S)-4-benzyl-N-(5-methyl-1H-pyrazol-4-yl)-5-oxomorpholine-3-carboxamide
CID 97066023
N-[4-methyl-2-(1H-1,2,4-triazol-5-yl)phenyl]-1-prop-2-enoylpyrrolidine-2-carboxamide
CID 166421110
4-methyl-3-[[(2S)-1-(propan-2-ylcarbamoyl)pyrrolidine-2-carbonyl]amino]benzoic acid
CID 120522342
(2S)-2-[[4-[5-[4-[[(2S)-1-carboxypyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 70941882
(2R)-2-[(2-ethoxy-5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylic acid
CID 154111425
(2S)-1-[(2S)-2-hydroxy-3-methylbutanoyl]-N-(1H-indazol-5-yl)pyrrolidine-2-carboxamide
CID 117074033

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-methyl-1H-pyrazol-4-yl)carbamoyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of (2R)-2-[(5-methyl-1H-pyrazol-4-yl)carbamoyl]pyrrolidine-1-carboxylic acid (CID 155225300) is (2R)-2-[(5-methyl-1H-pyrazol-4-yl)carbamoyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R)-2-[(5-methyl-1H-pyrazol-4-yl)carbamoyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R)-2-[(5-methyl-1H-pyrazol-4-yl)carbamoyl]pyrrolidine-1-carboxylic acid is Cc1[nH]ncc1NC(=O)[C@H]1CCCN1C(=O)O.
What is the InChIKey of (2R)-2-[(5-methyl-1H-pyrazol-4-yl)carbamoyl]pyrrolidine-1-carboxylic acid?
The InChIKey is TZSDDFJVEAHOQN-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-6-7(5-11-13-6)12-9(15)8-3-2-4-14(8)10(16)17/h5,8H,2-4H2,1H3,(H,11,13)(H,12,15)(H,16,17)/t8-/m1/s1.
What are the key properties of (2R)-2-[(5-methyl-1H-pyrazol-4-yl)carbamoyl]pyrrolidine-1-carboxylic acid?
(2R)-2-[(5-methyl-1H-pyrazol-4-yl)carbamoyl]pyrrolidine-1-carboxylic acid has a molecular weight of 238.25 g/mol, XLogP of 0.80, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-methyl-1H-pyrazol-4-yl)carbamoyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 155225300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).