4-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]morpholine-2-carboxylic acid

C14H16N4O4 — CID 56908982

IUPAC4-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]morpholine-2-carboxylic acid
SMILESCn1cccc1-c1cc(C(=O)N2CCOC(C(=O)O)C2)[nH]n1
InChIInChI=1S/C14H16N4O4/c1-17-4-2-3-11(17)9-7-10(16-15-9)13(19)18-5-6-22-12(8-18)14(20)21/h2-4,7,12H,5-6,8H2,1H3,(H,15,16)(H,20,21)
InChIKeyCWJKDADCUOGARA-UHFFFAOYSA-N
MW304.31 g/mol
LogP0.34
Rot. Bonds3

About 4-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]morpholine-2-carboxylic acid

4-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]morpholine-2-carboxylic acid (PubChem CID 56908982) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is 4-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]morpholine-2-carboxylic acid
PubChem CID56908982
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC Name4-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]morpholine-2-carboxylic acid
SMILESCn1cccc1-c1cc(C(=O)N2CCOC(C(=O)O)C2)[nH]n1
InChIInChI=1S/C14H16N4O4/c1-17-4-2-3-11(17)9-7-10(16-15-9)13(19)18-5-6-22-12(8-18)14(20)21/h2-4,7,12H,5-6,8H2,1H3,(H,15,16)(H,20,21)
InChIKeyCWJKDADCUOGARA-UHFFFAOYSA-N
XLogP0.34
TPSA100.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]morpholine-2-carboxylic acid
CID 95892043
[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone
CID 97132778
ethane;3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxylic acid
CID 143757787
3-(1-methylpyrrol-2-yl)-N-[[(2S)-4-phenylmorpholin-2-yl]methyl]-1H-pyrazole-5-carboxamide
CID 97149838
(1-methylimidazol-2-yl)-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]piperidin-3-yl]methanone
CID 70723597
[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]methanone
CID 70848735
(3aS,6aS)-N,N-dimethyl-5-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carboxamide
CID 70776907
[3-(3,4-dimethylanilino)piperidin-1-yl]-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]methanone
CID 45231480
[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone
CID 70722437
4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]morpholine-2-carboxylic acid
CID 119239257
(2R)-4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]morpholine-2-carboxylic acid
CID 129415638
[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]methanone
CID 97129509

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]morpholine-2-carboxylic acid (CID 56908982) is 4-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]morpholine-2-carboxylic acid is Cn1cccc1-c1cc(C(=O)N2CCOC(C(=O)O)C2)[nH]n1.
What is the InChIKey of 4-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]morpholine-2-carboxylic acid?
The InChIKey is CWJKDADCUOGARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4/c1-17-4-2-3-11(17)9-7-10(16-15-9)13(19)18-5-6-22-12(8-18)14(20)21/h2-4,7,12H,5-6,8H2,1H3,(H,15,16)(H,20,21).
What are the key properties of 4-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]morpholine-2-carboxylic acid?
4-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]morpholine-2-carboxylic acid has a molecular weight of 304.31 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 56908982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).