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

C14H14ClN3O3 — CID 117492632

IUPAC3-(3-chloro-4-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(N3CCOCC3)c(Cl)c2)n[nH]1
InChIInChI=1S/C14H14ClN3O3/c15-10-7-9(11-8-12(14(19)20)17-16-11)1-2-13(10)18-3-5-21-6-4-18/h1-2,7-8H,3-6H2,(H,16,17)(H,19,20)
InChIKeyVPYHGJOHRUWJHH-UHFFFAOYSA-N
MW307.74 g/mol
LogP2.26
Rot. Bonds3

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

3-(3-chloro-4-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 117492632) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is 3-(3-chloro-4-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-chloro-4-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID117492632
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC Name3-(3-chloro-4-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(N3CCOCC3)c(Cl)c2)n[nH]1
InChIInChI=1S/C14H14ClN3O3/c15-10-7-9(11-8-12(14(19)20)17-16-11)1-2-13(10)18-3-5-21-6-4-18/h1-2,7-8H,3-6H2,(H,16,17)(H,19,20)
InChIKeyVPYHGJOHRUWJHH-UHFFFAOYSA-N
XLogP2.26
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(3-chloro-4-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-chloro-4-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117493548
3-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117463545
3-(3-chloro-4-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117466352
3-(5-fluoro-2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117470364
3-(2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117435513
[3-(4-bromophenyl)-1H-pyrazol-5-yl]-morpholin-4-ylmethanone
CID 38549380
3-(3-amino-4-chlorophenyl)-1H-pyrazole-5-carboxylic acid
CID 115111306
3-(1,3-dihydro-2-benzofuran-5-yl)-1H-pyrazole-5-carboxylic acid
CID 82390931
3-(2-chloro-6-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 115111364
3-[4-(4-chlorophenoxy)phenyl]-1H-pyrazole-5-carboxylic acid
CID 131955014
3-(4-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-1H-pyrazole-5-carboxamide
CID 90544240
3-[4-(1-azabicyclo[2.2.2]octan-4-yl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117478941

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(3-chloro-4-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid (CID 117492632) is 3-(3-chloro-4-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(3-chloro-4-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(3-chloro-4-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(-c2ccc(N3CCOCC3)c(Cl)c2)n[nH]1.
What is the InChIKey of 3-(3-chloro-4-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is VPYHGJOHRUWJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c15-10-7-9(11-8-12(14(19)20)17-16-11)1-2-13(10)18-3-5-21-6-4-18/h1-2,7-8H,3-6H2,(H,16,17)(H,19,20).
What are the key properties of 3-(3-chloro-4-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid?
3-(3-chloro-4-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 307.74 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 117492632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).