5-(4-chloro-5-methylpyrazol-1-yl)-N'-hydroxypentanimidamide

C9H15ClN4O — CID 77037656

IUPAC5-(4-chloro-5-methylpyrazol-1-yl)-N'-hydroxypentanimidamide
SMILESCc1c(Cl)cnn1CCCCC(N)=NO
InChIInChI=1S/C9H15ClN4O/c1-7-8(10)6-12-14(7)5-3-2-4-9(11)13-15/h6,15H,2-5H2,1H3,(H2,11,13)
InChIKeyRZVXKEZYMOJMIE-UHFFFAOYSA-N
MW230.70 g/mol
LogP1.76
Rot. Bonds5

About 5-(4-chloro-5-methylpyrazol-1-yl)-N'-hydroxypentanimidamide

5-(4-chloro-5-methylpyrazol-1-yl)-N'-hydroxypentanimidamide (PubChem CID 77037656) has the molecular formula C9H15ClN4O and a molecular weight of 230.70 g/mol. Its IUPAC name is 5-(4-chloro-5-methylpyrazol-1-yl)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-(4-chloro-5-methylpyrazol-1-yl)-N'-hydroxypentanimidamide
PubChem CID77037656
Molecular FormulaC9H15ClN4O
Molecular Weight230.70 g/mol
Exact Mass230.09
IUPAC Name5-(4-chloro-5-methylpyrazol-1-yl)-N'-hydroxypentanimidamide
SMILESCc1c(Cl)cnn1CCCCC(N)=NO
InChIInChI=1S/C9H15ClN4O/c1-7-8(10)6-12-14(7)5-3-2-4-9(11)13-15/h6,15H,2-5H2,1H3,(H2,11,13)
InChIKeyRZVXKEZYMOJMIE-UHFFFAOYSA-N
XLogP1.76
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Related Compounds

N'-hydroxy-5-(5-methylpyrazol-1-yl)pentanimidamide
CID 77037664
5-(4-amino-5-methylpyrazol-1-yl)pentanamide
CID 165471809
hydrazinyl 3-(4-chloro-5-methylpyrazol-1-yl)propanoate
CID 66337882
ethyl 2-(4-chloro-5-methylpyrazol-1-yl)acetate
CID 59813966
4-[3-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]butanoyl chloride
CID 19552342
5-(3,5-diethylpyrazol-1-yl)-N'-hydroxypentanimidamide
CID 82695391
N'-hydroxy-5-(3-methylpyrazol-1-yl)pentanimidamide
CID 77037604
4-amino-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide
CID 19620405
5-(2-ethylimidazol-1-yl)-N'-hydroxypentanimidamide
CID 109374642
4-(4,5-dimethylimidazol-1-yl)-N'-hydroxybutanimidamide
CID 76941348
[(Z)-[amino(phenyl)methylidene]amino] 2-(4-chloro-5-methylpyrazol-1-yl)acetate
CID 19290062
3-(4-chloro-5-methylpyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
CID 19554002

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-5-methylpyrazol-1-yl)-N'-hydroxypentanimidamide?
The IUPAC name of 5-(4-chloro-5-methylpyrazol-1-yl)-N'-hydroxypentanimidamide (CID 77037656) is 5-(4-chloro-5-methylpyrazol-1-yl)-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-(4-chloro-5-methylpyrazol-1-yl)-N'-hydroxypentanimidamide?
The canonical SMILES for 5-(4-chloro-5-methylpyrazol-1-yl)-N'-hydroxypentanimidamide is Cc1c(Cl)cnn1CCCCC(N)=NO.
What is the InChIKey of 5-(4-chloro-5-methylpyrazol-1-yl)-N'-hydroxypentanimidamide?
The InChIKey is RZVXKEZYMOJMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4O/c1-7-8(10)6-12-14(7)5-3-2-4-9(11)13-15/h6,15H,2-5H2,1H3,(H2,11,13).
What are the key properties of 5-(4-chloro-5-methylpyrazol-1-yl)-N'-hydroxypentanimidamide?
5-(4-chloro-5-methylpyrazol-1-yl)-N'-hydroxypentanimidamide has a molecular weight of 230.70 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-5-methylpyrazol-1-yl)-N'-hydroxypentanimidamide is sourced from PubChem (CID 77037656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).