N-butan-2-yl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine

C14H28N4 — CID 43281943

IUPACN-butan-2-yl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine
SMILESCCCNCc1c(C)nn(C)c1N(C)C(C)CC
InChIInChI=1S/C14H28N4/c1-7-9-15-10-13-12(4)16-18(6)14(13)17(5)11(3)8-2/h11,15H,7-10H2,1-6H3
InChIKeyOZXZMECUPULUEX-UHFFFAOYSA-N
MW252.41 g/mol
LogP2.46
Rot. Bonds7

About N-butan-2-yl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine

N-butan-2-yl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine (PubChem CID 43281943) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is N-butan-2-yl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine.

Molecular Properties

Compound NameN-butan-2-yl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine
PubChem CID43281943
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC NameN-butan-2-yl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine
SMILESCCCNCc1c(C)nn(C)c1N(C)C(C)CC
InChIInChI=1S/C14H28N4/c1-7-9-15-10-13-12(4)16-18(6)14(13)17(5)11(3)8-2/h11,15H,7-10H2,1-6H3
InChIKeyOZXZMECUPULUEX-UHFFFAOYSA-N
XLogP2.46
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,1,3-trimethyl-N-(4-methylcyclohexyl)-4-(propylaminomethyl)pyrazol-5-amine
CID 61437594
4-(bromomethyl)-N-butan-2-yl-N,1,3-trimethylpyrazol-5-amine
CID 107080060
N-butyl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine
CID 43280698
N-cyclohexyl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine
CID 43280836
N-butyl-N-ethyl-1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-amine
CID 43280756
2-[[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]-methylamino]-N,N-dimethylacetamide
CID 43375197
4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-pentan-2-ylpyrazol-5-amine
CID 63058622
2-[cyclopropyl-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]amino]ethanol
CID 54994821
N-(1-cyclopropylethyl)-4-(ethylaminomethyl)-N,1,3-trimethylpyrazol-5-amine
CID 43569435
2-[2,2-difluoroethyl-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]amino]ethanol
CID 107481446
N-(furan-3-ylmethyl)-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine
CID 61422603
4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(1-methylsulfanylpropan-2-yl)pyrazol-5-amine
CID 115986343

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine?
The IUPAC name of N-butan-2-yl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine (CID 43281943) is N-butan-2-yl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine.
What is the SMILES notation for N-butan-2-yl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine?
The canonical SMILES for N-butan-2-yl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine is CCCNCc1c(C)nn(C)c1N(C)C(C)CC.
What is the InChIKey of N-butan-2-yl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine?
The InChIKey is OZXZMECUPULUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-7-9-15-10-13-12(4)16-18(6)14(13)17(5)11(3)8-2/h11,15H,7-10H2,1-6H3.
What are the key properties of N-butan-2-yl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine?
N-butan-2-yl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine has a molecular weight of 252.41 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine is sourced from PubChem (CID 43281943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).