1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid

C10H14N4O3 — CID 63031407

IUPAC1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCc2cn[nH]c2)C1
InChIInChI=1S/C10H14N4O3/c15-9(16)8-1-2-14(6-8)10(17)11-3-7-4-12-13-5-7/h4-5,8H,1-3,6H2,(H,11,17)(H,12,13)(H,15,16)
InChIKeyBVCNYQOHPFVSKG-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.03
Rot. Bonds3

About 1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid

1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid (PubChem CID 63031407) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid
PubChem CID63031407
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCc2cn[nH]c2)C1
InChIInChI=1S/C10H14N4O3/c15-9(16)8-1-2-14(6-8)10(17)11-3-7-4-12-13-5-7/h4-5,8H,1-3,6H2,(H,11,17)(H,12,13)(H,15,16)
InChIKeyBVCNYQOHPFVSKG-UHFFFAOYSA-N
XLogP0.03
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-pyrazol-4-ylmethyl)morpholine-4-carboxamide
CID 79151879
1-[(4-ethylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 106900468
1-[(5-chloro-6-methoxy-3-pyridinyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122016251
(3R)-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81120212
1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 106037474
1-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 106403250
1-(1H-pyrazol-4-ylmethylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564861
N-(1H-pyrazol-4-ylmethyl)piperidine-4-carboxamide
CID 61000741
(3S)-1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81119248
1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 62992812
1-[(3-cyanophenyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63032285
1-[(4-bromo-2,6-difluorophenyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122011027

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid (CID 63031407) is 1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)NCc2cn[nH]c2)C1.
What is the InChIKey of 1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is BVCNYQOHPFVSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c15-9(16)8-1-2-14(6-8)10(17)11-3-7-4-12-13-5-7/h4-5,8H,1-3,6H2,(H,11,17)(H,12,13)(H,15,16).
What are the key properties of 1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid?
1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 238.25 g/mol, XLogP of 0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63031407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).