2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide

C14H17ClN4O — CID 76981750

IUPAC2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide
SMILESCCc1c(C)nn(-c2ccc(C(N)=NO)c(Cl)c2)c1C
InChIInChI=1S/C14H17ClN4O/c1-4-11-8(2)17-19(9(11)3)10-5-6-12(13(15)7-10)14(16)18-20/h5-7,20H,4H2,1-3H3,(H2,16,18)
InChIKeyDUXPXQOBNZGVJO-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.80
Rot. Bonds3

About 2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide

2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide (PubChem CID 76981750) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide
PubChem CID76981750
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide
SMILESCCc1c(C)nn(-c2ccc(C(N)=NO)c(Cl)c2)c1C
InChIInChI=1S/C14H17ClN4O/c1-4-11-8(2)17-19(9(11)3)10-5-6-12(13(15)7-10)14(16)18-20/h5-7,20H,4H2,1-3H3,(H2,16,18)
InChIKeyDUXPXQOBNZGVJO-UHFFFAOYSA-N
XLogP2.80
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.80
H-Bond Donors ≤ 52
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide (CID 76981750) is 2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide is CCc1c(C)nn(-c2ccc(C(N)=NO)c(Cl)c2)c1C.
What is the InChIKey of 2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide?
The InChIKey is DUXPXQOBNZGVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-4-11-8(2)17-19(9(11)3)10-5-6-12(13(15)7-10)14(16)18-20/h5-7,20H,4H2,1-3H3,(H2,16,18).
What are the key properties of 2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide?
2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide has a molecular weight of 292.77 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76981750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).