N,N-diethyl-3-hydrazinyl-4-(1-methylpyrazol-4-yl)butan-1-amine

C12H25N5 — CID 105244100

IUPACN,N-diethyl-3-hydrazinyl-4-(1-methylpyrazol-4-yl)butan-1-amine
SMILESCCN(CC)CCC(Cc1cnn(C)c1)NN
InChIInChI=1S/C12H25N5/c1-4-17(5-2)7-6-12(15-13)8-11-9-14-16(3)10-11/h9-10,12,15H,4-8,13H2,1-3H3
InChIKeyHUTVRSSLFBHLIX-UHFFFAOYSA-N
MW239.37 g/mol
LogP0.53
Rot. Bonds8

About N,N-diethyl-3-hydrazinyl-4-(1-methylpyrazol-4-yl)butan-1-amine

N,N-diethyl-3-hydrazinyl-4-(1-methylpyrazol-4-yl)butan-1-amine (PubChem CID 105244100) has the molecular formula C12H25N5 and a molecular weight of 239.37 g/mol. Its IUPAC name is N,N-diethyl-3-hydrazinyl-4-(1-methylpyrazol-4-yl)butan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-hydrazinyl-4-(1-methylpyrazol-4-yl)butan-1-amine
PubChem CID105244100
Molecular FormulaC12H25N5
Molecular Weight239.37 g/mol
Exact Mass239.21
IUPAC NameN,N-diethyl-3-hydrazinyl-4-(1-methylpyrazol-4-yl)butan-1-amine
SMILESCCN(CC)CCC(Cc1cnn(C)c1)NN
InChIInChI=1S/C12H25N5/c1-4-17(5-2)7-6-12(15-13)8-11-9-14-16(3)10-11/h9-10,12,15H,4-8,13H2,1-3H3
InChIKeyHUTVRSSLFBHLIX-UHFFFAOYSA-N
XLogP0.53
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.37
LogP ≤ 50.53
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'}

Analyze N,N-diethyl-3-hydrazinyl-4-(1-methylpyrazol-4-yl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-methylpyrazol-4-yl)tridecan-2-ylhydrazine
CID 105291057
1-N,1-N,3-N-triethyl-5-(1-methylpyrazol-4-yl)pentane-1,3-diamine
CID 103011204
4-(5-bromo-3-pyridinyl)-N,N-diethyl-3-hydrazinylbutan-1-amine
CID 105243945
1-N,1-N-diethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pentane-1,4-diamine
CID 43180284
[4-(1-methylpyrazol-4-yl)-1-thiophen-3-ylbutan-2-yl]hydrazine
CID 103025780
[1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-yl]hydrazine
CID 105204779
1,2-bis(1-methylpyrazol-4-yl)ethylhydrazine
CID 105228414
4-(1-cyclopentylpyrazol-3-yl)-N,N-diethyl-3-hydrazinylbutan-1-amine
CID 105244030
N',N'-diethyl-N-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 28600418
N,N-diethyl-1-[1-hydrazinyl-2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-amine
CID 105242672
[1-(1-methylpyrazol-4-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine
CID 105214243
1-(1-methylpyrazol-4-yl)undecan-3-ylhydrazine
CID 103025813

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-hydrazinyl-4-(1-methylpyrazol-4-yl)butan-1-amine?
The IUPAC name of N,N-diethyl-3-hydrazinyl-4-(1-methylpyrazol-4-yl)butan-1-amine (CID 105244100) is N,N-diethyl-3-hydrazinyl-4-(1-methylpyrazol-4-yl)butan-1-amine.
What is the SMILES notation for N,N-diethyl-3-hydrazinyl-4-(1-methylpyrazol-4-yl)butan-1-amine?
The canonical SMILES for N,N-diethyl-3-hydrazinyl-4-(1-methylpyrazol-4-yl)butan-1-amine is CCN(CC)CCC(Cc1cnn(C)c1)NN.
What is the InChIKey of N,N-diethyl-3-hydrazinyl-4-(1-methylpyrazol-4-yl)butan-1-amine?
The InChIKey is HUTVRSSLFBHLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5/c1-4-17(5-2)7-6-12(15-13)8-11-9-14-16(3)10-11/h9-10,12,15H,4-8,13H2,1-3H3.
What are the key properties of N,N-diethyl-3-hydrazinyl-4-(1-methylpyrazol-4-yl)butan-1-amine?
N,N-diethyl-3-hydrazinyl-4-(1-methylpyrazol-4-yl)butan-1-amine has a molecular weight of 239.37 g/mol, XLogP of 0.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-hydrazinyl-4-(1-methylpyrazol-4-yl)butan-1-amine is sourced from PubChem (CID 105244100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).