[1-(2-aminoethyl)pyrazol-4-yl]phosphonous acid

C5H10N3O2P — CID 144823323

IUPAC[1-(2-aminoethyl)pyrazol-4-yl]phosphonous acid
SMILESNCCn1cc(P(O)O)cn1
InChIInChI=1S/C5H10N3O2P/c6-1-2-8-4-5(3-7-8)11(9)10/h3-4,9-10H,1-2,6H2
InChIKeyWWKZJACLASMEJK-UHFFFAOYSA-N
MW175.13 g/mol
LogP-1.24
Rot. Bonds3

About [1-(2-aminoethyl)pyrazol-4-yl]phosphonous acid

[1-(2-aminoethyl)pyrazol-4-yl]phosphonous acid (PubChem CID 144823323) has the molecular formula C5H10N3O2P and a molecular weight of 175.13 g/mol. Its IUPAC name is [1-(2-aminoethyl)pyrazol-4-yl]phosphonous acid.

Molecular Properties

Compound Name[1-(2-aminoethyl)pyrazol-4-yl]phosphonous acid
PubChem CID144823323
Molecular FormulaC5H10N3O2P
Molecular Weight175.13 g/mol
Exact Mass175.05
IUPAC Name[1-(2-aminoethyl)pyrazol-4-yl]phosphonous acid
SMILESNCCn1cc(P(O)O)cn1
InChIInChI=1S/C5H10N3O2P/c6-1-2-8-4-5(3-7-8)11(9)10/h3-4,9-10H,1-2,6H2
InChIKeyWWKZJACLASMEJK-UHFFFAOYSA-N
XLogP-1.24
TPSA84.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.13
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[1-(2-aminoethyl)pyrazol-4-yl]phosphonic acid
CID 102600030
2-[4-(difluoromethyl)pyrazol-1-yl]ethanamine
CID 84731494
1-(2-aminoethyl)pyrazole-4-carbonitrile;hydrochloride
CID 146048593
2-(4-nitropyrazol-1-yl)ethanamine
CID 7017136
N-[1-(2-aminoethyl)pyrazol-4-yl]-2-methoxyacetamide
CID 73440703
2-[4-(4-ethylphenyl)pyrazol-1-yl]ethanamine
CID 82113702
3-(4-phenylpyrazol-1-yl)propan-1-amine;hydrochloride
CID 164608398
2-(4-cyclobutyloxypyrazol-1-yl)ethanamine
CID 117234339
10-(4-phenylpyrazol-1-yl)decan-1-amine
CID 150162722
2-[4-(4-propan-2-ylphenyl)pyrazol-1-yl]ethanamine;hydrochloride
CID 164608290
2-[4-(cyclopenten-1-yl)pyrazol-1-yl]ethanamine
CID 130563691
2-[4-[4-(methoxymethyl)phenyl]pyrazol-1-yl]ethanamine
CID 164607189

Frequently Asked Questions

What is the IUPAC name of [1-(2-aminoethyl)pyrazol-4-yl]phosphonous acid?
The IUPAC name of [1-(2-aminoethyl)pyrazol-4-yl]phosphonous acid (CID 144823323) is [1-(2-aminoethyl)pyrazol-4-yl]phosphonous acid.
What is the SMILES notation for [1-(2-aminoethyl)pyrazol-4-yl]phosphonous acid?
The canonical SMILES for [1-(2-aminoethyl)pyrazol-4-yl]phosphonous acid is NCCn1cc(P(O)O)cn1.
What is the InChIKey of [1-(2-aminoethyl)pyrazol-4-yl]phosphonous acid?
The InChIKey is WWKZJACLASMEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N3O2P/c6-1-2-8-4-5(3-7-8)11(9)10/h3-4,9-10H,1-2,6H2.
What are the key properties of [1-(2-aminoethyl)pyrazol-4-yl]phosphonous acid?
[1-(2-aminoethyl)pyrazol-4-yl]phosphonous acid has a molecular weight of 175.13 g/mol, XLogP of -1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminoethyl)pyrazol-4-yl]phosphonous acid is sourced from PubChem (CID 144823323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).