4-(1-phenyl-5-propylpyrazole-4-carbonyl)morpholine-2-carboxylic acid

C18H21N3O4 — CID 120526124

IUPAC4-(1-phenyl-5-propylpyrazole-4-carbonyl)morpholine-2-carboxylic acid
SMILESCCCc1c(C(=O)N2CCOC(C(=O)O)C2)cnn1-c1ccccc1
InChIInChI=1S/C18H21N3O4/c1-2-6-15-14(11-19-21(15)13-7-4-3-5-8-13)17(22)20-9-10-25-16(12-20)18(23)24/h3-5,7-8,11,16H,2,6,9-10,12H2,1H3,(H,23,24)
InChIKeyOTCNQXZIVDJRKT-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.75
Rot. Bonds5

About 4-(1-phenyl-5-propylpyrazole-4-carbonyl)morpholine-2-carboxylic acid

4-(1-phenyl-5-propylpyrazole-4-carbonyl)morpholine-2-carboxylic acid (PubChem CID 120526124) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 4-(1-phenyl-5-propylpyrazole-4-carbonyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(1-phenyl-5-propylpyrazole-4-carbonyl)morpholine-2-carboxylic acid
PubChem CID120526124
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name4-(1-phenyl-5-propylpyrazole-4-carbonyl)morpholine-2-carboxylic acid
SMILESCCCc1c(C(=O)N2CCOC(C(=O)O)C2)cnn1-c1ccccc1
InChIInChI=1S/C18H21N3O4/c1-2-6-15-14(11-19-21(15)13-7-4-3-5-8-13)17(22)20-9-10-25-16(12-20)18(23)24/h3-5,7-8,11,16H,2,6,9-10,12H2,1H3,(H,23,24)
InChIKeyOTCNQXZIVDJRKT-UHFFFAOYSA-N
XLogP1.75
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-(1-phenyl-5-propylpyrazol-4-yl)methanone
CID 3817338
4-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 119239693
4-[1-(3-bromophenyl)-5-methylpyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 119238830
4-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 119239314
[4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyl-5-propylpyrazol-4-yl)methanone
CID 2811414
4-[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 120526129
4-[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 119239800
4-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 119239330
2-[(2R)-4-(5-methyl-1-phenylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 124697804
4-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)morpholine-2-carboxylic acid
CID 119357867
2-[(2R)-4-[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]morpholin-2-yl]acetic acid
CID 124684984
(2S)-4-[2-(2-phenylethyl)benzoyl]morpholine-2-carboxylic acid
CID 125153634

Frequently Asked Questions

What is the IUPAC name of 4-(1-phenyl-5-propylpyrazole-4-carbonyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(1-phenyl-5-propylpyrazole-4-carbonyl)morpholine-2-carboxylic acid (CID 120526124) is 4-(1-phenyl-5-propylpyrazole-4-carbonyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(1-phenyl-5-propylpyrazole-4-carbonyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(1-phenyl-5-propylpyrazole-4-carbonyl)morpholine-2-carboxylic acid is CCCc1c(C(=O)N2CCOC(C(=O)O)C2)cnn1-c1ccccc1.
What is the InChIKey of 4-(1-phenyl-5-propylpyrazole-4-carbonyl)morpholine-2-carboxylic acid?
The InChIKey is OTCNQXZIVDJRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-2-6-15-14(11-19-21(15)13-7-4-3-5-8-13)17(22)20-9-10-25-16(12-20)18(23)24/h3-5,7-8,11,16H,2,6,9-10,12H2,1H3,(H,23,24).
What are the key properties of 4-(1-phenyl-5-propylpyrazole-4-carbonyl)morpholine-2-carboxylic acid?
4-(1-phenyl-5-propylpyrazole-4-carbonyl)morpholine-2-carboxylic acid has a molecular weight of 343.38 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenyl-5-propylpyrazole-4-carbonyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 120526124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).