(2S)-2-[(1-methylpyrazol-4-yl)carbamoyl]pyrrolidine-1-carboxylic acid

C10H14N4O3 — CID 155225175

IUPAC(2S)-2-[(1-methylpyrazol-4-yl)carbamoyl]pyrrolidine-1-carboxylic acid
SMILESCn1cc(NC(=O)[C@@H]2CCCN2C(=O)O)cn1
InChIInChI=1S/C10H14N4O3/c1-13-6-7(5-11-13)12-9(15)8-3-2-4-14(8)10(16)17/h5-6,8H,2-4H2,1H3,(H,12,15)(H,16,17)/t8-/m0/s1
InChIKeyHSTPILQZOMPQED-QMMMGPOBSA-N
MW238.25 g/mol
LogP0.50
Rot. Bonds2

About (2S)-2-[(1-methylpyrazol-4-yl)carbamoyl]pyrrolidine-1-carboxylic acid

(2S)-2-[(1-methylpyrazol-4-yl)carbamoyl]pyrrolidine-1-carboxylic acid (PubChem CID 155225175) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is (2S)-2-[(1-methylpyrazol-4-yl)carbamoyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-[(1-methylpyrazol-4-yl)carbamoyl]pyrrolidine-1-carboxylic acid
PubChem CID155225175
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name(2S)-2-[(1-methylpyrazol-4-yl)carbamoyl]pyrrolidine-1-carboxylic acid
SMILESCn1cc(NC(=O)[C@@H]2CCCN2C(=O)O)cn1
InChIInChI=1S/C10H14N4O3/c1-13-6-7(5-11-13)12-9(15)8-3-2-4-14(8)10(16)17/h5-6,8H,2-4H2,1H3,(H,12,15)(H,16,17)/t8-/m0/s1
InChIKeyHSTPILQZOMPQED-QMMMGPOBSA-N
XLogP0.50
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1-methylpyrazol-4-yl)carbamoyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of (2S)-2-[(1-methylpyrazol-4-yl)carbamoyl]pyrrolidine-1-carboxylic acid (CID 155225175) is (2S)-2-[(1-methylpyrazol-4-yl)carbamoyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S)-2-[(1-methylpyrazol-4-yl)carbamoyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S)-2-[(1-methylpyrazol-4-yl)carbamoyl]pyrrolidine-1-carboxylic acid is Cn1cc(NC(=O)[C@@H]2CCCN2C(=O)O)cn1.
What is the InChIKey of (2S)-2-[(1-methylpyrazol-4-yl)carbamoyl]pyrrolidine-1-carboxylic acid?
The InChIKey is HSTPILQZOMPQED-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-13-6-7(5-11-13)12-9(15)8-3-2-4-14(8)10(16)17/h5-6,8H,2-4H2,1H3,(H,12,15)(H,16,17)/t8-/m0/s1.
What are the key properties of (2S)-2-[(1-methylpyrazol-4-yl)carbamoyl]pyrrolidine-1-carboxylic acid?
(2S)-2-[(1-methylpyrazol-4-yl)carbamoyl]pyrrolidine-1-carboxylic acid has a molecular weight of 238.25 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1-methylpyrazol-4-yl)carbamoyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 155225175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).