2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl-cyclopentylamino]-N'-hydroxyethanimidamide

C14H24ClN5O — CID 77103346

IUPAC2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl-cyclopentylamino]-N'-hydroxyethanimidamide
SMILESCCc1nn(C)c(CN(CC(N)=NO)C2CCCC2)c1Cl
InChIInChI=1S/C14H24ClN5O/c1-3-11-14(15)12(19(2)17-11)8-20(9-13(16)18-21)10-6-4-5-7-10/h10,21H,3-9H2,1-2H3,(H2,16,18)
InChIKeyDMWVGHRSNNFOMV-UHFFFAOYSA-N
MW313.83 g/mol
LogP2.13
Rot. Bonds6

About 2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl-cyclopentylamino]-N'-hydroxyethanimidamide

2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl-cyclopentylamino]-N'-hydroxyethanimidamide (PubChem CID 77103346) has the molecular formula C14H24ClN5O and a molecular weight of 313.83 g/mol. Its IUPAC name is 2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl-cyclopentylamino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl-cyclopentylamino]-N'-hydroxyethanimidamide
PubChem CID77103346
Molecular FormulaC14H24ClN5O
Molecular Weight313.83 g/mol
Exact Mass313.17
IUPAC Name2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl-cyclopentylamino]-N'-hydroxyethanimidamide
SMILESCCc1nn(C)c(CN(CC(N)=NO)C2CCCC2)c1Cl
InChIInChI=1S/C14H24ClN5O/c1-3-11-14(15)12(19(2)17-11)8-20(9-13(16)18-21)10-6-4-5-7-10/h10,21H,3-9H2,1-2H3,(H2,16,18)
InChIKeyDMWVGHRSNNFOMV-UHFFFAOYSA-N
XLogP2.13
TPSA79.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze 2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl-cyclopentylamino]-N'-hydroxyethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl-cyclopentylamino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl-cyclopentylamino]-N'-hydroxyethanimidamide (CID 77103346) is 2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl-cyclopentylamino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl-cyclopentylamino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl-cyclopentylamino]-N'-hydroxyethanimidamide is CCc1nn(C)c(CN(CC(N)=NO)C2CCCC2)c1Cl.
What is the InChIKey of 2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl-cyclopentylamino]-N'-hydroxyethanimidamide?
The InChIKey is DMWVGHRSNNFOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN5O/c1-3-11-14(15)12(19(2)17-11)8-20(9-13(16)18-21)10-6-4-5-7-10/h10,21H,3-9H2,1-2H3,(H2,16,18).
What are the key properties of 2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl-cyclopentylamino]-N'-hydroxyethanimidamide?
2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl-cyclopentylamino]-N'-hydroxyethanimidamide has a molecular weight of 313.83 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl-cyclopentylamino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77103346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).