1-(5-amino-1H-pyrazol-4-yl)ethenol;ethane

C7H13N3O — CID 142866726

IUPAC1-(5-amino-1H-pyrazol-4-yl)ethenol;ethane
SMILESC=C(O)c1cn[nH]c1N.CC
InChIInChI=1S/C5H7N3O.C2H6/c1-3(9)4-2-7-8-5(4)6;1-2/h2,9H,1H2,(H3,6,7,8);1-2H3
InChIKeyHSHATVCMPTZRRI-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.55
Rot. Bonds1

About 1-(5-amino-1H-pyrazol-4-yl)ethenol;ethane

1-(5-amino-1H-pyrazol-4-yl)ethenol;ethane (PubChem CID 142866726) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-(5-amino-1H-pyrazol-4-yl)ethenol;ethane.

Molecular Properties

Compound Name1-(5-amino-1H-pyrazol-4-yl)ethenol;ethane
PubChem CID142866726
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name1-(5-amino-1H-pyrazol-4-yl)ethenol;ethane
SMILESC=C(O)c1cn[nH]c1N.CC
InChIInChI=1S/C5H7N3O.C2H6/c1-3(9)4-2-7-8-5(4)6;1-2/h2,9H,1H2,(H3,6,7,8);1-2H3
InChIKeyHSHATVCMPTZRRI-UHFFFAOYSA-N
XLogP1.55
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-(1-ethoxyethenyl)-1H-pyrazol-5-amine
CID 143550439
5-amino-1H-pyrazole-4-carbothioic S-acid
CID 117213718
4-[(3E)-6-methylhepta-1,3,5-trien-4-yl]-1H-pyrazol-5-amine
CID 144515390
(5-amino-1H-pyrazol-4-yl)-ethylsulfonylmethanone
CID 117213601
phosphanyl 5-amino-1H-pyrazole-4-carboxylate
CID 90304947
5-amino-N-butyl-N-methyl-1H-pyrazole-4-carboxamide
CID 43159518
(5-amino-1H-pyrazol-4-yl)-(3-methylthiophen-2-yl)methanone
CID 79992375
5-amino-N,N-dipropyl-1H-pyrazole-4-carboxamide
CID 43159428
1-(5-amino-1H-pyrazol-4-yl)nonan-1-one
CID 65360544
5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-carboxamide
CID 61168270
1-(5-amino-1H-pyrazol-4-yl)heptan-1-one
CID 65360495
acetic acid;4-bromo-1H-pyrazol-5-amine
CID 174780002

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1H-pyrazol-4-yl)ethenol;ethane?
The IUPAC name of 1-(5-amino-1H-pyrazol-4-yl)ethenol;ethane (CID 142866726) is 1-(5-amino-1H-pyrazol-4-yl)ethenol;ethane.
What is the SMILES notation for 1-(5-amino-1H-pyrazol-4-yl)ethenol;ethane?
The canonical SMILES for 1-(5-amino-1H-pyrazol-4-yl)ethenol;ethane is C=C(O)c1cn[nH]c1N.CC.
What is the InChIKey of 1-(5-amino-1H-pyrazol-4-yl)ethenol;ethane?
The InChIKey is HSHATVCMPTZRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O.C2H6/c1-3(9)4-2-7-8-5(4)6;1-2/h2,9H,1H2,(H3,6,7,8);1-2H3.
What are the key properties of 1-(5-amino-1H-pyrazol-4-yl)ethenol;ethane?
1-(5-amino-1H-pyrazol-4-yl)ethenol;ethane has a molecular weight of 155.20 g/mol, XLogP of 1.55, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1H-pyrazol-4-yl)ethenol;ethane is sourced from PubChem (CID 142866726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).