5-[(4-aminopyrazol-1-yl)methyl]furan-2-carboxylic acid;hydrochloride

C9H10ClN3O3 — CID 90484260

IUPAC5-[(4-aminopyrazol-1-yl)methyl]furan-2-carboxylic acid;hydrochloride
SMILESCl.Nc1cnn(Cc2ccc(C(=O)O)o2)c1
InChIInChI=1S/C9H9N3O3.ClH/c10-6-3-11-12(4-6)5-7-1-2-8(15-7)9(13)14;/h1-4H,5,10H2,(H,13,14);1H
InChIKeyMXMCDOMBJMNQRN-UHFFFAOYSA-N
MW243.65 g/mol
LogP1.23
Rot. Bonds3

About 5-[(4-aminopyrazol-1-yl)methyl]furan-2-carboxylic acid;hydrochloride

5-[(4-aminopyrazol-1-yl)methyl]furan-2-carboxylic acid;hydrochloride (PubChem CID 90484260) has the molecular formula C9H10ClN3O3 and a molecular weight of 243.65 g/mol. Its IUPAC name is 5-[(4-aminopyrazol-1-yl)methyl]furan-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-[(4-aminopyrazol-1-yl)methyl]furan-2-carboxylic acid;hydrochloride
PubChem CID90484260
Molecular FormulaC9H10ClN3O3
Molecular Weight243.65 g/mol
Exact Mass243.04
IUPAC Name5-[(4-aminopyrazol-1-yl)methyl]furan-2-carboxylic acid;hydrochloride
SMILESCl.Nc1cnn(Cc2ccc(C(=O)O)o2)c1
InChIInChI=1S/C9H9N3O3.ClH/c10-6-3-11-12(4-6)5-7-1-2-8(15-7)9(13)14;/h1-4H,5,10H2,(H,13,14);1H
InChIKeyMXMCDOMBJMNQRN-UHFFFAOYSA-N
XLogP1.23
TPSA94.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.65
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-aminopyrazol-1-yl)methyl]furan-2-carboxylic acid;hydrochloride?
The IUPAC name of 5-[(4-aminopyrazol-1-yl)methyl]furan-2-carboxylic acid;hydrochloride (CID 90484260) is 5-[(4-aminopyrazol-1-yl)methyl]furan-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-[(4-aminopyrazol-1-yl)methyl]furan-2-carboxylic acid;hydrochloride?
The canonical SMILES for 5-[(4-aminopyrazol-1-yl)methyl]furan-2-carboxylic acid;hydrochloride is Cl.Nc1cnn(Cc2ccc(C(=O)O)o2)c1.
What is the InChIKey of 5-[(4-aminopyrazol-1-yl)methyl]furan-2-carboxylic acid;hydrochloride?
The InChIKey is MXMCDOMBJMNQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3.ClH/c10-6-3-11-12(4-6)5-7-1-2-8(15-7)9(13)14;/h1-4H,5,10H2,(H,13,14);1H.
What are the key properties of 5-[(4-aminopyrazol-1-yl)methyl]furan-2-carboxylic acid;hydrochloride?
5-[(4-aminopyrazol-1-yl)methyl]furan-2-carboxylic acid;hydrochloride has a molecular weight of 243.65 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-aminopyrazol-1-yl)methyl]furan-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 90484260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).