N-[(5-hydrazinyl-1,3-dimethylpyrazol-4-yl)methyl]-N,3-dimethylbutan-2-amine

C12H25N5 — CID 62245689

IUPACN-[(5-hydrazinyl-1,3-dimethylpyrazol-4-yl)methyl]-N,3-dimethylbutan-2-amine
SMILESCc1nn(C)c(NN)c1CN(C)C(C)C(C)C
InChIInChI=1S/C12H25N5/c1-8(2)10(4)16(5)7-11-9(3)15-17(6)12(11)14-13/h8,10,14H,7,13H2,1-6H3
InChIKeyXTEIUCUKXHKEGJ-UHFFFAOYSA-N
MW239.37 g/mol
LogP1.49
Rot. Bonds5

About N-[(5-hydrazinyl-1,3-dimethylpyrazol-4-yl)methyl]-N,3-dimethylbutan-2-amine

N-[(5-hydrazinyl-1,3-dimethylpyrazol-4-yl)methyl]-N,3-dimethylbutan-2-amine (PubChem CID 62245689) has the molecular formula C12H25N5 and a molecular weight of 239.37 g/mol. Its IUPAC name is N-[(5-hydrazinyl-1,3-dimethylpyrazol-4-yl)methyl]-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-[(5-hydrazinyl-1,3-dimethylpyrazol-4-yl)methyl]-N,3-dimethylbutan-2-amine
PubChem CID62245689
Molecular FormulaC12H25N5
Molecular Weight239.37 g/mol
Exact Mass239.21
IUPAC NameN-[(5-hydrazinyl-1,3-dimethylpyrazol-4-yl)methyl]-N,3-dimethylbutan-2-amine
SMILESCc1nn(C)c(NN)c1CN(C)C(C)C(C)C
InChIInChI=1S/C12H25N5/c1-8(2)10(4)16(5)7-11-9(3)15-17(6)12(11)14-13/h8,10,14H,7,13H2,1-6H3
InChIKeyXTEIUCUKXHKEGJ-UHFFFAOYSA-N
XLogP1.49
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.37
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(5-hydrazinyl-1,3-dimethylpyrazol-4-yl)methyl]-N,3-dimethylbutan-1-amine
CID 62245540
N-[(5-hydrazinyl-1,3-dimethylpyrazol-4-yl)methyl]-N,2-dimethylbutan-1-amine
CID 62246707
[1,3-dimethyl-4-(2-methylpropylsulfanylmethyl)pyrazol-5-yl]hydrazine
CID 62252125
[4-(methoxymethyl)-1,3-dimethylpyrazol-5-yl]hydrazine
CID 62245433
2-[(5-hydrazinyl-1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-propylacetamide
CID 55050607
[4-(2-ethoxyethoxymethyl)-1,3-dimethylpyrazol-5-yl]hydrazine
CID 62246595
1,3-dimethyl-4-[[methyl(3-methylbutyl)amino]methyl]pyrazol-5-amine
CID 62208977
2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]propanoic acid
CID 64686967
N,N,1,3-tetramethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-amine
CID 43281251
4-[[furan-3-ylmethyl(methyl)amino]methyl]-N,1,3-trimethylpyrazol-5-amine
CID 62207198
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]propan-2-ol
CID 62334987
2-[cyanomethyl-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]amino]acetonitrile
CID 62182873

Frequently Asked Questions

What is the IUPAC name of N-[(5-hydrazinyl-1,3-dimethylpyrazol-4-yl)methyl]-N,3-dimethylbutan-2-amine?
The IUPAC name of N-[(5-hydrazinyl-1,3-dimethylpyrazol-4-yl)methyl]-N,3-dimethylbutan-2-amine (CID 62245689) is N-[(5-hydrazinyl-1,3-dimethylpyrazol-4-yl)methyl]-N,3-dimethylbutan-2-amine.
What is the SMILES notation for N-[(5-hydrazinyl-1,3-dimethylpyrazol-4-yl)methyl]-N,3-dimethylbutan-2-amine?
The canonical SMILES for N-[(5-hydrazinyl-1,3-dimethylpyrazol-4-yl)methyl]-N,3-dimethylbutan-2-amine is Cc1nn(C)c(NN)c1CN(C)C(C)C(C)C.
What is the InChIKey of N-[(5-hydrazinyl-1,3-dimethylpyrazol-4-yl)methyl]-N,3-dimethylbutan-2-amine?
The InChIKey is XTEIUCUKXHKEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5/c1-8(2)10(4)16(5)7-11-9(3)15-17(6)12(11)14-13/h8,10,14H,7,13H2,1-6H3.
What are the key properties of N-[(5-hydrazinyl-1,3-dimethylpyrazol-4-yl)methyl]-N,3-dimethylbutan-2-amine?
N-[(5-hydrazinyl-1,3-dimethylpyrazol-4-yl)methyl]-N,3-dimethylbutan-2-amine has a molecular weight of 239.37 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-hydrazinyl-1,3-dimethylpyrazol-4-yl)methyl]-N,3-dimethylbutan-2-amine is sourced from PubChem (CID 62245689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).