1-[(1-ethylpyrazol-4-yl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid

C12H18N4O4 — CID 61209916

IUPAC1-[(1-ethylpyrazol-4-yl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
SMILESCCn1cc(NC(=O)N2CC(OC)CC2C(=O)O)cn1
InChIInChI=1S/C12H18N4O4/c1-3-15-6-8(5-13-15)14-12(19)16-7-9(20-2)4-10(16)11(17)18/h5-6,9-10H,3-4,7H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyKMHOOWCDMXFDMS-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.61
Rot. Bonds4

About 1-[(1-ethylpyrazol-4-yl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid

1-[(1-ethylpyrazol-4-yl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid (PubChem CID 61209916) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-4-yl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
PubChem CID61209916
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name1-[(1-ethylpyrazol-4-yl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
SMILESCCn1cc(NC(=O)N2CC(OC)CC2C(=O)O)cn1
InChIInChI=1S/C12H18N4O4/c1-3-15-6-8(5-13-15)14-12(19)16-7-9(20-2)4-10(16)11(17)18/h5-6,9-10H,3-4,7H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyKMHOOWCDMXFDMS-UHFFFAOYSA-N
XLogP0.61
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-1-[(5-methyl-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 107265732
N-(1-ethylpyrazol-4-yl)-4-methoxypyrrolidine-2-carboxamide
CID 61213731
1-[(3-bromophenyl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 61190492
(2S,4S)-4-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylpyrrolidine-2-carboxamide
CID 128979339
1-[(4-bromo-3-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 107614576
1-[2-[ethyl(methyl)amino]ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 55097642
4-methoxy-1-[(6-methyl-3-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 62996183
1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 65231065
4-methoxy-1-(3-methylpentan-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 114174500
1-(cyclobutylmethylcarbamoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 61197043
1-[2-(carbamoylamino)ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 83113219
1-[(4-chlorophenyl)methylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 61192553

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-4-yl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid (CID 61209916) is 1-[(1-ethylpyrazol-4-yl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid is CCn1cc(NC(=O)N2CC(OC)CC2C(=O)O)cn1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid?
The InChIKey is KMHOOWCDMXFDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-3-15-6-8(5-13-15)14-12(19)16-7-9(20-2)4-10(16)11(17)18/h5-6,9-10H,3-4,7H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 1-[(1-ethylpyrazol-4-yl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid?
1-[(1-ethylpyrazol-4-yl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrazol-4-yl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61209916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).