(2S,4R)-2-(hydrazinecarbonyl)-4-pyrazol-1-ylpyrrolidine-1-carboxylic acid

C9H13N5O3 — CID 137407685

IUPAC(2S,4R)-2-(hydrazinecarbonyl)-4-pyrazol-1-ylpyrrolidine-1-carboxylic acid
SMILESNNC(=O)[C@@H]1C[C@@H](n2cccn2)CN1C(=O)O
InChIInChI=1S/C9H13N5O3/c10-12-8(15)7-4-6(5-13(7)9(16)17)14-3-1-2-11-14/h1-3,6-7H,4-5,10H2,(H,12,15)(H,16,17)/t6-,7+/m1/s1
InChIKeyFXIPWZRWAYHNDH-RQJHMYQMSA-N
MW239.24 g/mol
LogP-0.83
Rot. Bonds2

About (2S,4R)-2-(hydrazinecarbonyl)-4-pyrazol-1-ylpyrrolidine-1-carboxylic acid

(2S,4R)-2-(hydrazinecarbonyl)-4-pyrazol-1-ylpyrrolidine-1-carboxylic acid (PubChem CID 137407685) has the molecular formula C9H13N5O3 and a molecular weight of 239.24 g/mol. Its IUPAC name is (2S,4R)-2-(hydrazinecarbonyl)-4-pyrazol-1-ylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-2-(hydrazinecarbonyl)-4-pyrazol-1-ylpyrrolidine-1-carboxylic acid
PubChem CID137407685
Molecular FormulaC9H13N5O3
Molecular Weight239.24 g/mol
Exact Mass239.10
IUPAC Name(2S,4R)-2-(hydrazinecarbonyl)-4-pyrazol-1-ylpyrrolidine-1-carboxylic acid
SMILESNNC(=O)[C@@H]1C[C@@H](n2cccn2)CN1C(=O)O
InChIInChI=1S/C9H13N5O3/c10-12-8(15)7-4-6(5-13(7)9(16)17)14-3-1-2-11-14/h1-3,6-7H,4-5,10H2,(H,12,15)(H,16,17)/t6-,7+/m1/s1
InChIKeyFXIPWZRWAYHNDH-RQJHMYQMSA-N
XLogP-0.83
TPSA113.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S,4S)-1-methyl-4-(triazol-1-yl)pyrrolidine-2-carbohydrazide
CID 137415029
(2R,4S)-4-(2-chlorophenyl)sulfonyl-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylic acid
CID 140580366
2-pyrazol-1-ylcyclopropane-1-carboxylic acid
CID 105429677
2-(4-methoxycarbonylphenyl)-4-pyrazol-1-ylpiperidine-1-carboxylic acid
CID 175559042
aziridine-1,2-dicarbohydrazide
CID 139822017
N-(3-bicyclo[3.1.0]hexanyl)-3-pyrazol-1-ylpyrrolidine-1-carboxamide
CID 128915883
1-(1-cyclobutylazetidin-3-yl)pyrazole
CID 131134144
1-cyclopentylpyrazole
CID 10844435
(4S)-4-(4-pyrazol-1-ylpiperidin-1-yl)azepane-1-carboxylic acid
CID 90333637
1-(oxan-4-yl)-3-(4-pyrazol-1-ylcyclohexyl)urea
CID 126854298
4-pyrazol-1-ylcyclohexan-1-amine;dihydrochloride
CID 171992327
2-methyl-1-(3-pyrazol-1-ylazetidin-1-yl)butan-1-one
CID 138583469

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-(hydrazinecarbonyl)-4-pyrazol-1-ylpyrrolidine-1-carboxylic acid?
The IUPAC name of (2S,4R)-2-(hydrazinecarbonyl)-4-pyrazol-1-ylpyrrolidine-1-carboxylic acid (CID 137407685) is (2S,4R)-2-(hydrazinecarbonyl)-4-pyrazol-1-ylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S,4R)-2-(hydrazinecarbonyl)-4-pyrazol-1-ylpyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S,4R)-2-(hydrazinecarbonyl)-4-pyrazol-1-ylpyrrolidine-1-carboxylic acid is NNC(=O)[C@@H]1C[C@@H](n2cccn2)CN1C(=O)O.
What is the InChIKey of (2S,4R)-2-(hydrazinecarbonyl)-4-pyrazol-1-ylpyrrolidine-1-carboxylic acid?
The InChIKey is FXIPWZRWAYHNDH-RQJHMYQMSA-N. The full InChI is InChI=1S/C9H13N5O3/c10-12-8(15)7-4-6(5-13(7)9(16)17)14-3-1-2-11-14/h1-3,6-7H,4-5,10H2,(H,12,15)(H,16,17)/t6-,7+/m1/s1.
What are the key properties of (2S,4R)-2-(hydrazinecarbonyl)-4-pyrazol-1-ylpyrrolidine-1-carboxylic acid?
(2S,4R)-2-(hydrazinecarbonyl)-4-pyrazol-1-ylpyrrolidine-1-carboxylic acid has a molecular weight of 239.24 g/mol, XLogP of -0.83, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-(hydrazinecarbonyl)-4-pyrazol-1-ylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 137407685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).