4-(1-amino-2-hydroxyethyl)-5-chloro-1-methylpyrazole-3-carboxylic acid

C7H10ClN3O3 — CID 83889128

IUPAC4-(1-amino-2-hydroxyethyl)-5-chloro-1-methylpyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)c(C(N)CO)c1Cl
InChIInChI=1S/C7H10ClN3O3/c1-11-6(8)4(3(9)2-12)5(10-11)7(13)14/h3,12H,2,9H2,1H3,(H,13,14)
InChIKeyZINOXQQCFSYUAH-UHFFFAOYSA-N
MW219.63 g/mol
LogP-0.24
Rot. Bonds3

About 4-(1-amino-2-hydroxyethyl)-5-chloro-1-methylpyrazole-3-carboxylic acid

4-(1-amino-2-hydroxyethyl)-5-chloro-1-methylpyrazole-3-carboxylic acid (PubChem CID 83889128) has the molecular formula C7H10ClN3O3 and a molecular weight of 219.63 g/mol. Its IUPAC name is 4-(1-amino-2-hydroxyethyl)-5-chloro-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-(1-amino-2-hydroxyethyl)-5-chloro-1-methylpyrazole-3-carboxylic acid
PubChem CID83889128
Molecular FormulaC7H10ClN3O3
Molecular Weight219.63 g/mol
Exact Mass219.04
IUPAC Name4-(1-amino-2-hydroxyethyl)-5-chloro-1-methylpyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)c(C(N)CO)c1Cl
InChIInChI=1S/C7H10ClN3O3/c1-11-6(8)4(3(9)2-12)5(10-11)7(13)14/h3,12H,2,9H2,1H3,(H,13,14)
InChIKeyZINOXQQCFSYUAH-UHFFFAOYSA-N
XLogP-0.24
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.63
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-aminophenyl)-5-chloro-1-methylpyrazole-3-carboxylic acid
CID 117100573
4-chloro-5-fluoro-1-methylpyrazole-3-carboxylic acid
CID 170913368
2-(5-chloro-3-ethyl-1-methylpyrazol-4-yl)propanoic acid
CID 83887374
5-[(1S)-1-aminopropyl]-1-methyl-1,2,4-triazole-3-carboxylic acid
CID 155858765
4-bromo-5-(hydroxymethyl)-1-methylpyrazole-3-carboxylic acid
CID 171366923
4-iodo-1-methylpyrazole-3,5-dicarboxylic acid
CID 12563626
4-amino-1-(5-chloro-1,3-dimethylpyrazol-4-yl)pentan-2-one
CID 116555894
5-(1-amino-2-hydroxyethyl)-1,4-dimethylpyrrole-2-carboxylic acid
CID 112713116
3-bromo-5-chloro-1-methylpyrazole-4-carboxylic acid
CID 83824721
2-amino-2-[3-[2-(2-methoxyethoxy)ethyl]imidazol-4-yl]ethanol
CID 114704613
1,4-dimethyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid
CID 105450095
ethane;5-ethyl-1,4-dimethylpyrazole-3-carboxylic acid
CID 170618736

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2-hydroxyethyl)-5-chloro-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 4-(1-amino-2-hydroxyethyl)-5-chloro-1-methylpyrazole-3-carboxylic acid (CID 83889128) is 4-(1-amino-2-hydroxyethyl)-5-chloro-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 4-(1-amino-2-hydroxyethyl)-5-chloro-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 4-(1-amino-2-hydroxyethyl)-5-chloro-1-methylpyrazole-3-carboxylic acid is Cn1nc(C(=O)O)c(C(N)CO)c1Cl.
What is the InChIKey of 4-(1-amino-2-hydroxyethyl)-5-chloro-1-methylpyrazole-3-carboxylic acid?
The InChIKey is ZINOXQQCFSYUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O3/c1-11-6(8)4(3(9)2-12)5(10-11)7(13)14/h3,12H,2,9H2,1H3,(H,13,14).
What are the key properties of 4-(1-amino-2-hydroxyethyl)-5-chloro-1-methylpyrazole-3-carboxylic acid?
4-(1-amino-2-hydroxyethyl)-5-chloro-1-methylpyrazole-3-carboxylic acid has a molecular weight of 219.63 g/mol, XLogP of -0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2-hydroxyethyl)-5-chloro-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 83889128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).