1-methyl-4-(morpholin-4-ylmethyl)pyrazole-5-carboxylic acid

C10H15N3O3 — CID 117216599

IUPAC1-methyl-4-(morpholin-4-ylmethyl)pyrazole-5-carboxylic acid
SMILESCn1ncc(CN2CCOCC2)c1C(=O)O
InChIInChI=1S/C10H15N3O3/c1-12-9(10(14)15)8(6-11-12)7-13-2-4-16-5-3-13/h6H,2-5,7H2,1H3,(H,14,15)
InChIKeyNUJQGRSJRDWWNB-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.05
Rot. Bonds3

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

1-methyl-4-(morpholin-4-ylmethyl)pyrazole-5-carboxylic acid (PubChem CID 117216599) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-methyl-4-(morpholin-4-ylmethyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-(morpholin-4-ylmethyl)pyrazole-5-carboxylic acid
PubChem CID117216599
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name1-methyl-4-(morpholin-4-ylmethyl)pyrazole-5-carboxylic acid
SMILESCn1ncc(CN2CCOCC2)c1C(=O)O
InChIInChI=1S/C10H15N3O3/c1-12-9(10(14)15)8(6-11-12)7-13-2-4-16-5-3-13/h6H,2-5,7H2,1H3,(H,14,15)
InChIKeyNUJQGRSJRDWWNB-UHFFFAOYSA-N
XLogP-0.05
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(azepan-1-ylmethyl)-1-methylpyrazole-5-carboxylic acid
CID 117216595
1-methyl-4-(morpholin-4-ylmethyl)pyrazol-5-amine
CID 79678428
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-methylpyrazole-5-carboxylic acid
CID 117216576
4-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-5-carboxylic acid
CID 117233224
4-chloro-1-methylpyrazole-5-carboxylic acid
CID 670823
2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid
CID 79596226
1-methyl-3-(morpholin-4-ylmethyl)indole-5-carboxylic acid
CID 117175278
N-[4-bromo-2,6-bis(morpholin-4-ylmethyl)phenyl]acetamide
CID 70622393
1-methyl-4-(phenoxymethyl)pyrazole-5-carboxylic acid
CID 117216611
4-(morpholin-4-ylmethyl)-1-propan-2-ylpyrazol-5-amine
CID 117216699
CID 131887032
CID 131887032
3-(morpholin-4-ylmethyl)furan-2-carboxylic acid
CID 43153189

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(morpholin-4-ylmethyl)pyrazole-5-carboxylic acid?
The IUPAC name of 1-methyl-4-(morpholin-4-ylmethyl)pyrazole-5-carboxylic acid (CID 117216599) is 1-methyl-4-(morpholin-4-ylmethyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-methyl-4-(morpholin-4-ylmethyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 1-methyl-4-(morpholin-4-ylmethyl)pyrazole-5-carboxylic acid is Cn1ncc(CN2CCOCC2)c1C(=O)O.
What is the InChIKey of 1-methyl-4-(morpholin-4-ylmethyl)pyrazole-5-carboxylic acid?
The InChIKey is NUJQGRSJRDWWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-12-9(10(14)15)8(6-11-12)7-13-2-4-16-5-3-13/h6H,2-5,7H2,1H3,(H,14,15).
What are the key properties of 1-methyl-4-(morpholin-4-ylmethyl)pyrazole-5-carboxylic acid?
1-methyl-4-(morpholin-4-ylmethyl)pyrazole-5-carboxylic acid has a molecular weight of 225.25 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(morpholin-4-ylmethyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 117216599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).