1-(2,5-dimethylpyrazol-3-yl)-3-N,3-N-diethyl-3-methylpentane-2,3-diamine

C15H30N4 — CID 79068743

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-N,3-N-diethyl-3-methylpentane-2,3-diamine
SMILESCCN(CC)C(C)(CC)C(N)Cc1cc(C)nn1C
InChIInChI=1S/C15H30N4/c1-7-15(5,19(8-2)9-3)14(16)11-13-10-12(4)17-18(13)6/h10,14H,7-9,11,16H2,1-6H3
InChIKeyVUAACVKDOSMVQK-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.11
Rot. Bonds7

About 1-(2,5-dimethylpyrazol-3-yl)-3-N,3-N-diethyl-3-methylpentane-2,3-diamine

1-(2,5-dimethylpyrazol-3-yl)-3-N,3-N-diethyl-3-methylpentane-2,3-diamine (PubChem CID 79068743) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-N,3-N-diethyl-3-methylpentane-2,3-diamine.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-N,3-N-diethyl-3-methylpentane-2,3-diamine
PubChem CID79068743
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-N,3-N-diethyl-3-methylpentane-2,3-diamine
SMILESCCN(CC)C(C)(CC)C(N)Cc1cc(C)nn1C
InChIInChI=1S/C15H30N4/c1-7-15(5,19(8-2)9-3)14(16)11-13-10-12(4)17-18(13)6/h10,14H,7-9,11,16H2,1-6H3
InChIKeyVUAACVKDOSMVQK-UHFFFAOYSA-N
XLogP2.11
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-N,3-N-diethyl-3-methylpentane-2,3-diamine?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-N,3-N-diethyl-3-methylpentane-2,3-diamine (CID 79068743) is 1-(2,5-dimethylpyrazol-3-yl)-3-N,3-N-diethyl-3-methylpentane-2,3-diamine.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-N,3-N-diethyl-3-methylpentane-2,3-diamine?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-N,3-N-diethyl-3-methylpentane-2,3-diamine is CCN(CC)C(C)(CC)C(N)Cc1cc(C)nn1C.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-N,3-N-diethyl-3-methylpentane-2,3-diamine?
The InChIKey is VUAACVKDOSMVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-7-15(5,19(8-2)9-3)14(16)11-13-10-12(4)17-18(13)6/h10,14H,7-9,11,16H2,1-6H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-N,3-N-diethyl-3-methylpentane-2,3-diamine?
1-(2,5-dimethylpyrazol-3-yl)-3-N,3-N-diethyl-3-methylpentane-2,3-diamine has a molecular weight of 266.43 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-N,3-N-diethyl-3-methylpentane-2,3-diamine is sourced from PubChem (CID 79068743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).