1-cyclopropyl-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]ethane-1,2-diamine

C11H20N4 — CID 116651200

IUPAC1-cyclopropyl-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]ethane-1,2-diamine
SMILESCN(Cc1ccnn1C)C(CN)C1CC1
InChIInChI=1S/C11H20N4/c1-14(11(7-12)9-3-4-9)8-10-5-6-13-15(10)2/h5-6,9,11H,3-4,7-8,12H2,1-2H3
InChIKeyQYURLSYMPTXQFG-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.59
Rot. Bonds5

About 1-cyclopropyl-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]ethane-1,2-diamine

1-cyclopropyl-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]ethane-1,2-diamine (PubChem CID 116651200) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]ethane-1,2-diamine
PubChem CID116651200
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name1-cyclopropyl-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]ethane-1,2-diamine
SMILESCN(Cc1ccnn1C)C(CN)C1CC1
InChIInChI=1S/C11H20N4/c1-14(11(7-12)9-3-4-9)8-10-5-6-13-15(10)2/h5-6,9,11H,3-4,7-8,12H2,1-2H3
InChIKeyQYURLSYMPTXQFG-UHFFFAOYSA-N
XLogP0.59
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-N-methylethane-1,2-diamine
CID 116651199
1-cyclopropyl-N-methyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine
CID 116653149
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]but-3-yn-2-amine
CID 130635384
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine
CID 63015155
1-cyclopropyl-N-methyl-N-(pyrazin-2-ylmethyl)ethane-1,2-diamine
CID 116652924
N-[(5-chlorothiophen-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 61438347
1-cyclopropyl-N-methyl-N-[(6-methyl-3-pyridinyl)methyl]ethane-1,2-diamine
CID 116651532
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiolan-3-amine
CID 121020811
N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116653157
1-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylethane-1,2-diamine
CID 116652775
2-cyclopropyl-2-(2-methylpyrazol-3-yl)ethanamine
CID 83826852
2-N-methyl-2-N-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,2-diamine
CID 103015452

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]ethane-1,2-diamine (CID 116651200) is 1-cyclopropyl-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]ethane-1,2-diamine is CN(Cc1ccnn1C)C(CN)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]ethane-1,2-diamine?
The InChIKey is QYURLSYMPTXQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-14(11(7-12)9-3-4-9)8-10-5-6-13-15(10)2/h5-6,9,11H,3-4,7-8,12H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]ethane-1,2-diamine?
1-cyclopropyl-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]ethane-1,2-diamine has a molecular weight of 208.31 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 116651200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).