1-[(5-chloro-2-nitrophenyl)methyl]pyrazol-4-ol

C10H8ClN3O3 — CID 116799335

IUPAC1-[(5-chloro-2-nitrophenyl)methyl]pyrazol-4-ol
SMILESO=[N+]([O-])c1ccc(Cl)cc1Cn1cc(O)cn1
InChIInChI=1S/C10H8ClN3O3/c11-8-1-2-10(14(16)17)7(3-8)5-13-6-9(15)4-12-13/h1-4,6,15H,5H2
InChIKeySKABZYLUNSQXEP-UHFFFAOYSA-N
MW253.65 g/mol
LogP2.20
Rot. Bonds3

About 1-[(5-chloro-2-nitrophenyl)methyl]pyrazol-4-ol

1-[(5-chloro-2-nitrophenyl)methyl]pyrazol-4-ol (PubChem CID 116799335) has the molecular formula C10H8ClN3O3 and a molecular weight of 253.65 g/mol. Its IUPAC name is 1-[(5-chloro-2-nitrophenyl)methyl]pyrazol-4-ol.

Molecular Properties

Compound Name1-[(5-chloro-2-nitrophenyl)methyl]pyrazol-4-ol
PubChem CID116799335
Molecular FormulaC10H8ClN3O3
Molecular Weight253.65 g/mol
Exact Mass253.03
IUPAC Name1-[(5-chloro-2-nitrophenyl)methyl]pyrazol-4-ol
SMILESO=[N+]([O-])c1ccc(Cl)cc1Cn1cc(O)cn1
InChIInChI=1S/C10H8ClN3O3/c11-8-1-2-10(14(16)17)7(3-8)5-13-6-9(15)4-12-13/h1-4,6,15H,5H2
InChIKeySKABZYLUNSQXEP-UHFFFAOYSA-N
XLogP2.20
TPSA81.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[(5-chloro-2-nitrophenyl)methyl]triazol-4-yl]acetic acid
CID 107461560
4-(2-chloroethyl)-1-[(5-chloro-2-nitrophenyl)methyl]triazole
CID 79580075
(5-chloro-2-nitrophenyl)methoxy-trimethylsilane
CID 91738137
1-[(5-chloro-2-nitrophenyl)methyl]-4-methylpiperidin-4-ol
CID 80701975
[1-[(5-chloro-2-nitrophenyl)methyl]pyrrol-2-yl]methanol
CID 79580068
N-[[1-[(4-chloro-2-nitrophenyl)methyl]pyrazol-4-yl]methyl]propan-1-amine
CID 62731938
[1-[(5-chloro-2-nitrophenyl)methyl]pyrrol-3-yl]methanamine
CID 79580932
1-[(2-hydroxyphenyl)methyl]pyrazol-4-ol
CID 117124791
1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-ol
CID 102622243
2-[(5-chloro-2-nitrophenyl)methylsulfanyl]phenol
CID 79494947
3-[(5-chloro-2-nitrophenyl)methyl]-1,3-thiazol-2-one
CID 115669198
3-[(5-chloro-2-nitrophenyl)methoxy]phenol
CID 79579722

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-nitrophenyl)methyl]pyrazol-4-ol?
The IUPAC name of 1-[(5-chloro-2-nitrophenyl)methyl]pyrazol-4-ol (CID 116799335) is 1-[(5-chloro-2-nitrophenyl)methyl]pyrazol-4-ol.
What is the SMILES notation for 1-[(5-chloro-2-nitrophenyl)methyl]pyrazol-4-ol?
The canonical SMILES for 1-[(5-chloro-2-nitrophenyl)methyl]pyrazol-4-ol is O=[N+]([O-])c1ccc(Cl)cc1Cn1cc(O)cn1.
What is the InChIKey of 1-[(5-chloro-2-nitrophenyl)methyl]pyrazol-4-ol?
The InChIKey is SKABZYLUNSQXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O3/c11-8-1-2-10(14(16)17)7(3-8)5-13-6-9(15)4-12-13/h1-4,6,15H,5H2.
What are the key properties of 1-[(5-chloro-2-nitrophenyl)methyl]pyrazol-4-ol?
1-[(5-chloro-2-nitrophenyl)methyl]pyrazol-4-ol has a molecular weight of 253.65 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-nitrophenyl)methyl]pyrazol-4-ol is sourced from PubChem (CID 116799335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).