1-methyl-5-(4-morpholin-4-ylphenyl)pyrazole-3-carboxylic acid

C15H17N3O3 — CID 112710654

IUPAC1-methyl-5-(4-morpholin-4-ylphenyl)pyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)cc1-c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H17N3O3/c1-17-14(10-13(16-17)15(19)20)11-2-4-12(5-3-11)18-6-8-21-9-7-18/h2-5,10H,6-9H2,1H3,(H,19,20)
InChIKeyNXXVJMJINKEHAK-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.62
Rot. Bonds3

About 1-methyl-5-(4-morpholin-4-ylphenyl)pyrazole-3-carboxylic acid

1-methyl-5-(4-morpholin-4-ylphenyl)pyrazole-3-carboxylic acid (PubChem CID 112710654) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-methyl-5-(4-morpholin-4-ylphenyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-(4-morpholin-4-ylphenyl)pyrazole-3-carboxylic acid
PubChem CID112710654
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name1-methyl-5-(4-morpholin-4-ylphenyl)pyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)cc1-c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H17N3O3/c1-17-14(10-13(16-17)15(19)20)11-2-4-12(5-3-11)18-6-8-21-9-7-18/h2-5,10H,6-9H2,1H3,(H,19,20)
InChIKeyNXXVJMJINKEHAK-UHFFFAOYSA-N
XLogP1.62
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-5-(4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxylic acid
CID 83853464
5-(2-hydroxy-5-morpholin-4-ylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 136966493
5-(3,4-dihydro-1H-isochromen-6-yl)-1-methylpyrazole-3-carboxylic acid
CID 117399136
[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 110299520
[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]-morpholin-4-ylmethanone
CID 110336268
5-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)-1-methylpyrazole-3-carboxylic acid
CID 117461912
5-[3-chloro-4-(oxolan-3-yl)phenyl]-1-methylpyrazole-3-carboxylic acid
CID 117491914
1-methyl-5-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]pyrazole-3-carboxylic acid
CID 117459365
5-(3,4-difluorophenyl)-1-methylpyrazole-3-carboxylic acid
CID 71292511
5-(4-fluorophenyl)-1-methyl-N-(2-morpholin-4-ylphenyl)pyrazole-3-carboxamide
CID 110299569
5-(3-chloro-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 168912055
[1-[1-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 110619029

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(4-morpholin-4-ylphenyl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-methyl-5-(4-morpholin-4-ylphenyl)pyrazole-3-carboxylic acid (CID 112710654) is 1-methyl-5-(4-morpholin-4-ylphenyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-methyl-5-(4-morpholin-4-ylphenyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-methyl-5-(4-morpholin-4-ylphenyl)pyrazole-3-carboxylic acid is Cn1nc(C(=O)O)cc1-c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 1-methyl-5-(4-morpholin-4-ylphenyl)pyrazole-3-carboxylic acid?
The InChIKey is NXXVJMJINKEHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-17-14(10-13(16-17)15(19)20)11-2-4-12(5-3-11)18-6-8-21-9-7-18/h2-5,10H,6-9H2,1H3,(H,19,20).
What are the key properties of 1-methyl-5-(4-morpholin-4-ylphenyl)pyrazole-3-carboxylic acid?
1-methyl-5-(4-morpholin-4-ylphenyl)pyrazole-3-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(4-morpholin-4-ylphenyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 112710654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).