6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(cyclopropylamino)-2-methylhexanamide

C15H25ClN4O — CID 62130053

IUPAC6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(cyclopropylamino)-2-methylhexanamide
SMILESCc1nn(CCCCC(C)(NC2CC2)C(N)=O)c(C)c1Cl
InChIInChI=1S/C15H25ClN4O/c1-10-13(16)11(2)20(19-10)9-5-4-8-15(3,14(17)21)18-12-6-7-12/h12,18H,4-9H2,1-3H3,(H2,17,21)
InChIKeyVNJOULDCESKNMB-UHFFFAOYSA-N
MW312.85 g/mol
LogP2.32
Rot. Bonds8

About 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(cyclopropylamino)-2-methylhexanamide

6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(cyclopropylamino)-2-methylhexanamide (PubChem CID 62130053) has the molecular formula C15H25ClN4O and a molecular weight of 312.85 g/mol. Its IUPAC name is 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(cyclopropylamino)-2-methylhexanamide.

Molecular Properties

Compound Name6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(cyclopropylamino)-2-methylhexanamide
PubChem CID62130053
Molecular FormulaC15H25ClN4O
Molecular Weight312.85 g/mol
Exact Mass312.17
IUPAC Name6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(cyclopropylamino)-2-methylhexanamide
SMILESCc1nn(CCCCC(C)(NC2CC2)C(N)=O)c(C)c1Cl
InChIInChI=1S/C15H25ClN4O/c1-10-13(16)11(2)20(19-10)9-5-4-8-15(3,14(17)21)18-12-6-7-12/h12,18H,4-9H2,1-3H3,(H2,17,21)
InChIKeyVNJOULDCESKNMB-UHFFFAOYSA-N
XLogP2.32
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.85
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(cyclopropylamino)-2-methylhexanamide?
The IUPAC name of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(cyclopropylamino)-2-methylhexanamide (CID 62130053) is 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(cyclopropylamino)-2-methylhexanamide.
What is the SMILES notation for 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(cyclopropylamino)-2-methylhexanamide?
The canonical SMILES for 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(cyclopropylamino)-2-methylhexanamide is Cc1nn(CCCCC(C)(NC2CC2)C(N)=O)c(C)c1Cl.
What is the InChIKey of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(cyclopropylamino)-2-methylhexanamide?
The InChIKey is VNJOULDCESKNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4O/c1-10-13(16)11(2)20(19-10)9-5-4-8-15(3,14(17)21)18-12-6-7-12/h12,18H,4-9H2,1-3H3,(H2,17,21).
What are the key properties of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(cyclopropylamino)-2-methylhexanamide?
6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(cyclopropylamino)-2-methylhexanamide has a molecular weight of 312.85 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(cyclopropylamino)-2-methylhexanamide is sourced from PubChem (CID 62130053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).