1-(3-chlorophenyl)-2-(2-ethylpyrazol-3-yl)-3-hydroxyguanidine

C12H14ClN5O — CID 24860939

IUPAC1-(3-chlorophenyl)-2-(2-ethylpyrazol-3-yl)-3-hydroxyguanidine
SMILESCCn1nccc1/N=C(\NO)Nc1cccc(Cl)c1
InChIInChI=1S/C12H14ClN5O/c1-2-18-11(6-7-14-18)16-12(17-19)15-10-5-3-4-9(13)8-10/h3-8,19H,2H2,1H3,(H2,15,16,17)
InChIKeyBTTHLGXQMXHAIR-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.63
Rot. Bonds3

About 1-(3-chlorophenyl)-2-(2-ethylpyrazol-3-yl)-3-hydroxyguanidine

1-(3-chlorophenyl)-2-(2-ethylpyrazol-3-yl)-3-hydroxyguanidine (PubChem CID 24860939) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(2-ethylpyrazol-3-yl)-3-hydroxyguanidine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(2-ethylpyrazol-3-yl)-3-hydroxyguanidine
PubChem CID24860939
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC Name1-(3-chlorophenyl)-2-(2-ethylpyrazol-3-yl)-3-hydroxyguanidine
SMILESCCn1nccc1/N=C(\NO)Nc1cccc(Cl)c1
InChIInChI=1S/C12H14ClN5O/c1-2-18-11(6-7-14-18)16-12(17-19)15-10-5-3-4-9(13)8-10/h3-8,19H,2H2,1H3,(H2,15,16,17)
InChIKeyBTTHLGXQMXHAIR-UHFFFAOYSA-N
XLogP2.63
TPSA74.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-3-hydroxy-2-(2,2,2-trifluoroethyl)guanidine
CID 142736006
1-(3-chlorophenyl)-3-hydroxy-2-[3-(1,3-oxazol-5-yl)phenyl]guanidine
CID 24860997
4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
CID 19449734
N-[3-[[5-[(4-chlorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide
CID 19415389
2-(3-chlorophenoxy)-1-(2-ethylpyrazol-3-yl)ethanol
CID 105098116
N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19262615
3-[5-[[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19491840
1-(3-chlorophenyl)-3-ethylthiourea
CID 872568
N-(3-chlorophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208641
4-chloro-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 81225135
N-(3-chlorophenyl)carbamodithioate;triethylazanium
CID 10979641
1-(3-chlorophenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea
CID 19326785

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(2-ethylpyrazol-3-yl)-3-hydroxyguanidine?
The IUPAC name of 1-(3-chlorophenyl)-2-(2-ethylpyrazol-3-yl)-3-hydroxyguanidine (CID 24860939) is 1-(3-chlorophenyl)-2-(2-ethylpyrazol-3-yl)-3-hydroxyguanidine.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(2-ethylpyrazol-3-yl)-3-hydroxyguanidine?
The canonical SMILES for 1-(3-chlorophenyl)-2-(2-ethylpyrazol-3-yl)-3-hydroxyguanidine is CCn1nccc1/N=C(\NO)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-(2-ethylpyrazol-3-yl)-3-hydroxyguanidine?
The InChIKey is BTTHLGXQMXHAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c1-2-18-11(6-7-14-18)16-12(17-19)15-10-5-3-4-9(13)8-10/h3-8,19H,2H2,1H3,(H2,15,16,17).
What are the key properties of 1-(3-chlorophenyl)-2-(2-ethylpyrazol-3-yl)-3-hydroxyguanidine?
1-(3-chlorophenyl)-2-(2-ethylpyrazol-3-yl)-3-hydroxyguanidine has a molecular weight of 279.73 g/mol, XLogP of 2.63, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(2-ethylpyrazol-3-yl)-3-hydroxyguanidine is sourced from PubChem (CID 24860939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).