4-(bromomethyl)-N,1,3-trimethyl-N-propan-2-ylpyrazol-5-amine

C10H18BrN3 — CID 107079390

IUPAC4-(bromomethyl)-N,1,3-trimethyl-N-propan-2-ylpyrazol-5-amine
SMILESCc1nn(C)c(N(C)C(C)C)c1CBr
InChIInChI=1S/C10H18BrN3/c1-7(2)13(4)10-9(6-11)8(3)12-14(10)5/h7H,6H2,1-5H3
InChIKeyZFARJCXXTHYRHH-UHFFFAOYSA-N
MW260.18 g/mol
LogP2.47
Rot. Bonds3

About 4-(bromomethyl)-N,1,3-trimethyl-N-propan-2-ylpyrazol-5-amine

4-(bromomethyl)-N,1,3-trimethyl-N-propan-2-ylpyrazol-5-amine (PubChem CID 107079390) has the molecular formula C10H18BrN3 and a molecular weight of 260.18 g/mol. Its IUPAC name is 4-(bromomethyl)-N,1,3-trimethyl-N-propan-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name4-(bromomethyl)-N,1,3-trimethyl-N-propan-2-ylpyrazol-5-amine
PubChem CID107079390
Molecular FormulaC10H18BrN3
Molecular Weight260.18 g/mol
Exact Mass259.07
IUPAC Name4-(bromomethyl)-N,1,3-trimethyl-N-propan-2-ylpyrazol-5-amine
SMILESCc1nn(C)c(N(C)C(C)C)c1CBr
InChIInChI=1S/C10H18BrN3/c1-7(2)13(4)10-9(6-11)8(3)12-14(10)5/h7H,6H2,1-5H3
InChIKeyZFARJCXXTHYRHH-UHFFFAOYSA-N
XLogP2.47
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.18
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-N-butan-2-yl-N,1,3-trimethylpyrazol-5-amine
CID 107080060
4-(bromomethyl)-N-(2-methoxyethyl)-1,3-dimethyl-N-propan-2-ylpyrazol-5-amine
CID 107084904
4-(bromomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,1,3-trimethylpyrazol-5-amine
CID 107083062
4-(bromomethyl)-N,1,3-trimethyl-N-(2-methylsulfanylethyl)pyrazol-5-amine
CID 107084982
2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]propan-1-ol
CID 104552650
4-(bromomethyl)-1,3-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazol-5-amine
CID 107081607
4-(2-aminoethyl)-N,1,3-trimethyl-N-(4-methylpentan-2-yl)pyrazol-5-amine
CID 55237561
3-[[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]butanenitrile
CID 63223522
N-butan-2-yl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine
CID 43281943
N,N,1,3-tetramethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-amine
CID 43281251
1-[[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]propan-2-ol
CID 62336030
4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-pentan-2-ylpyrazol-5-amine
CID 63058622

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N,1,3-trimethyl-N-propan-2-ylpyrazol-5-amine?
The IUPAC name of 4-(bromomethyl)-N,1,3-trimethyl-N-propan-2-ylpyrazol-5-amine (CID 107079390) is 4-(bromomethyl)-N,1,3-trimethyl-N-propan-2-ylpyrazol-5-amine.
What is the SMILES notation for 4-(bromomethyl)-N,1,3-trimethyl-N-propan-2-ylpyrazol-5-amine?
The canonical SMILES for 4-(bromomethyl)-N,1,3-trimethyl-N-propan-2-ylpyrazol-5-amine is Cc1nn(C)c(N(C)C(C)C)c1CBr.
What is the InChIKey of 4-(bromomethyl)-N,1,3-trimethyl-N-propan-2-ylpyrazol-5-amine?
The InChIKey is ZFARJCXXTHYRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrN3/c1-7(2)13(4)10-9(6-11)8(3)12-14(10)5/h7H,6H2,1-5H3.
What are the key properties of 4-(bromomethyl)-N,1,3-trimethyl-N-propan-2-ylpyrazol-5-amine?
4-(bromomethyl)-N,1,3-trimethyl-N-propan-2-ylpyrazol-5-amine has a molecular weight of 260.18 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N,1,3-trimethyl-N-propan-2-ylpyrazol-5-amine is sourced from PubChem (CID 107079390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).