4-chloro-3-morpholin-4-yl-1H-pyrazole-5-carboxylic acid

C8H10ClN3O3 — CID 83868980

IUPAC4-chloro-3-morpholin-4-yl-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1[nH]nc(N2CCOCC2)c1Cl
InChIInChI=1S/C8H10ClN3O3/c9-5-6(8(13)14)10-11-7(5)12-1-3-15-4-2-12/h1-4H2,(H,10,11)(H,13,14)
InChIKeyQRZZMEGOGCQUKS-UHFFFAOYSA-N
MW231.64 g/mol
LogP0.60
Rot. Bonds2

About 4-chloro-3-morpholin-4-yl-1H-pyrazole-5-carboxylic acid

4-chloro-3-morpholin-4-yl-1H-pyrazole-5-carboxylic acid (PubChem CID 83868980) has the molecular formula C8H10ClN3O3 and a molecular weight of 231.64 g/mol. Its IUPAC name is 4-chloro-3-morpholin-4-yl-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-chloro-3-morpholin-4-yl-1H-pyrazole-5-carboxylic acid
PubChem CID83868980
Molecular FormulaC8H10ClN3O3
Molecular Weight231.64 g/mol
Exact Mass231.04
IUPAC Name4-chloro-3-morpholin-4-yl-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1[nH]nc(N2CCOCC2)c1Cl
InChIInChI=1S/C8H10ClN3O3/c9-5-6(8(13)14)10-11-7(5)12-1-3-15-4-2-12/h1-4H2,(H,10,11)(H,13,14)
InChIKeyQRZZMEGOGCQUKS-UHFFFAOYSA-N
XLogP0.60
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.64
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-morpholin-4-yl-6-sulfanylidene-1H-pyridazine-4-carboxylic acid
CID 117102632
5-chloro-6-morpholin-4-ylpyridine-3-carboxylic acid
CID 19869906
4-(5,6-dichloro-2-methylpyrimidin-4-yl)morpholine
CID 134511412
3-(3-chloro-4-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117492632
3,5-dichloro-4-morpholin-4-ylpyridine-2-carboxylic acid
CID 2363719
4-(4-methyl-5-nitro-1H-pyrazol-3-yl)morpholine
CID 19827688
5-(4-chlorophenyl)-3-morpholin-4-yl-1,2-oxazole-4-carboxylic acid
CID 163314828
2-chloro-3-morpholin-4-ylbenzoic acid
CID 155573324
5-chloro-6-morpholin-4-yl-1H-pyrimidine-2,4-dione
CID 23648503
2-chloro-5-fluoro-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 146469522
ethyl 2-(4-chloro-2-methyl-6-morpholin-4-ylpyrimidin-5-yl)oxyacetate
CID 126635968
4-(1H-pyrazolo[5,4-d][1,3]thiazol-3-yl)morpholine
CID 143782778

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-morpholin-4-yl-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 4-chloro-3-morpholin-4-yl-1H-pyrazole-5-carboxylic acid (CID 83868980) is 4-chloro-3-morpholin-4-yl-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-chloro-3-morpholin-4-yl-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 4-chloro-3-morpholin-4-yl-1H-pyrazole-5-carboxylic acid is O=C(O)c1[nH]nc(N2CCOCC2)c1Cl.
What is the InChIKey of 4-chloro-3-morpholin-4-yl-1H-pyrazole-5-carboxylic acid?
The InChIKey is QRZZMEGOGCQUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O3/c9-5-6(8(13)14)10-11-7(5)12-1-3-15-4-2-12/h1-4H2,(H,10,11)(H,13,14).
What are the key properties of 4-chloro-3-morpholin-4-yl-1H-pyrazole-5-carboxylic acid?
4-chloro-3-morpholin-4-yl-1H-pyrazole-5-carboxylic acid has a molecular weight of 231.64 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-morpholin-4-yl-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 83868980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).