2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]butanamide

C13H24N4O — CID 62900065

IUPAC2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]butanamide
SMILESCCCNCc1c(C)nn(C(CC)C(N)=O)c1C
InChIInChI=1S/C13H24N4O/c1-5-7-15-8-11-9(3)16-17(10(11)4)12(6-2)13(14)18/h12,15H,5-8H2,1-4H3,(H2,14,18)
InChIKeyXFRNFUKFVLJCTE-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.44
Rot. Bonds7

About 2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]butanamide

2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]butanamide (PubChem CID 62900065) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]butanamide.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]butanamide
PubChem CID62900065
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]butanamide
SMILESCCCNCc1c(C)nn(C(CC)C(N)=O)c1C
InChIInChI=1S/C13H24N4O/c1-5-7-15-8-11-9(3)16-17(10(11)4)12(6-2)13(14)18/h12,15H,5-8H2,1-4H3,(H2,14,18)
InChIKeyXFRNFUKFVLJCTE-UHFFFAOYSA-N
XLogP1.44
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.44
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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Related Compounds

3-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-2-methylpropanamide
CID 43647869
ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)butanoate
CID 64662065
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-propylpropan-1-amine
CID 62442336
2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-N-ethyl-N-methylacetamide
CID 43647870
ethyl 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]pentanoate
CID 83039881
ethyl 2-(4-bromo-3,5-dimethylpyrazol-1-yl)butanoate
CID 64662464
2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 61486141
ethyl 2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanoate
CID 17024876
2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide
CID 79236503
N-(cyclopropylmethyl)-2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]acetamide
CID 43647907
ethyl 2-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]sulfanylacetate
CID 63808561
N-[[1-(2-ethylsulfanylethyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-1-amine
CID 113473948

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]butanamide?
The IUPAC name of 2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]butanamide (CID 62900065) is 2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]butanamide.
What is the SMILES notation for 2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]butanamide?
The canonical SMILES for 2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]butanamide is CCCNCc1c(C)nn(C(CC)C(N)=O)c1C.
What is the InChIKey of 2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]butanamide?
The InChIKey is XFRNFUKFVLJCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-7-15-8-11-9(3)16-17(10(11)4)12(6-2)13(14)18/h12,15H,5-8H2,1-4H3,(H2,14,18).
What are the key properties of 2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]butanamide?
2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]butanamide has a molecular weight of 252.36 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]butanamide is sourced from PubChem (CID 62900065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).